Mercurial > repos > chemteam > traj_selections_and_merge

annotate test-data/test.gro @ 0:f4a1e92ca3d2 draft

Find changesets by keywords (author, files, the commit message), revision number or hash, or revset expression.
"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
author chemteam
date Thu, 11 Mar 2021 19:54:32 +0000
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f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
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1 Green Red Orange Magenta Azure Cyan Skyblue
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
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f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
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3 1BGLC C1 1 -0.078 0.146 0.038
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
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4 1BGLC H1 2 -0.078 0.140 0.149
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
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5 1BGLC O1 3 -0.134 0.271 0.005
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
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6 1BGLC HO1 4 -0.126 0.281 -0.090
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
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7 1BGLC C5 5 0.116 0.007 0.033
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
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8 1BGLC H5 6 0.115 0.003 0.145
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
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9 1BGLC O5 7 0.055 0.130 -0.011
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
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10 1BGLC C2 8 -0.164 0.034 -0.017
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
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11 1BGLC H2 9 -0.161 0.039 -0.129
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
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12 1BGLC O2 10 -0.300 0.047 0.023
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
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13 1BGLC HO2 11 -0.356 0.073 -0.051
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
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14 1BGLC C3 12 -0.107 -0.100 0.026
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
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15 1BGLC H3 13 -0.107 -0.103 0.137
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
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16 1BGLC O3 14 -0.185 -0.208 -0.022
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
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17 1BGLC HO3 15 -0.238 -0.241 0.052
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
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18 1BGLC C4 16 0.036 -0.109 -0.022
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
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19 1BGLC H4 17 0.037 -0.104 -0.134
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
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20 1BGLC O4 18 0.095 -0.232 0.016
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
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21 1BGLC HO4 19 0.066 -0.298 -0.049
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
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22 1BGLC C6 20 0.260 0.008 -0.013
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
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23 1BGLC H61 21 0.311 -0.086 0.018
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
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24 1BGLC H62 22 0.265 0.014 -0.124
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
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25 1BGLC O6 23 0.332 0.119 0.041
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
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26 1BGLC HO6 24 0.295 0.199 0.002
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
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27 1TIP3 OH2 25 -0.133 -0.342 -0.676
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
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28 1TIP3 H1 26 -0.148 -0.245 -0.676
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
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29 1TIP3 H2 27 -0.208 -0.372 -0.730
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
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30 2TIP3 OH2 28 -0.275 -0.419 -0.266
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
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31 2TIP3 H1 29 -0.241 -0.468 -0.188
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
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32 2TIP3 H2 30 -0.319 -0.492 -0.315
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
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33 3TIP3 OH2 31 -1.049 -0.481 -0.164
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
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34 3TIP3 H1 32 -1.046 -0.555 -0.101
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
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35 3TIP3 H2 33 -0.955 -0.470 -0.187
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
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36 4TIP3 OH2 34 0.092 -0.139 -0.466
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
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37 4TIP3 H1 35 0.055 -0.219 -0.425
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
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38 4TIP3 H2 36 0.149 -0.107 -0.396
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
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39 5TIP3 OH2 37 -0.942 0.021 -0.347
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
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40 5TIP3 H1 38 -0.960 -0.072 -0.374
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
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41 5TIP3 H2 39 -0.873 0.006 -0.281
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
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42 6TIP3 OH2 40 -1.301 -0.677 -0.764
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
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43 6TIP3 H1 41 -1.275 -0.593 -0.725
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
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44 6TIP3 H2 42 -1.384 -0.696 -0.715
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
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45 7TIP3 OH2 43 -1.191 -0.445 -0.529
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
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46 7TIP3 H1 44 -1.148 -0.530 -0.507
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
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47 7TIP3 H2 45 -1.116 -0.384 -0.532
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
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48 8TIP3 OH2 46 -0.185 0.403 -0.441
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
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49 8TIP3 H1 47 -0.148 0.326 -0.489
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
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50 8TIP3 H2 48 -0.232 0.364 -0.366
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
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51 9TIP3 OH2 49 -0.389 -0.168 -0.219
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
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52 9TIP3 H1 50 -0.357 -0.252 -0.259
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
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53 9TIP3 H2 51 -0.318 -0.156 -0.153
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
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54 10TIP3 OH2 52 0.472 -1.028 -0.166
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
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55 10TIP3 H1 53 0.486 -0.956 -0.102
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
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56 10TIP3 H2 54 0.532 -1.002 -0.238
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
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57 11TIP3 OH2 55 -0.108 -0.743 -0.254
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
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58 11TIP3 H1 56 -0.100 -0.840 -0.239
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
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59 11TIP3 H2 57 -0.131 -0.742 -0.349
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
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60 12TIP3 OH2 58 -0.759 -0.942 -0.512
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
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61 12TIP3 H1 59 -0.757 -0.855 -0.558
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
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62 12TIP3 H2 60 -0.802 -0.997 -0.581
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
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63 13TIP3 OH2 61 0.010 -0.901 -0.684
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
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64 13TIP3 H1 62 0.058 -0.925 -0.601
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
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65 13TIP3 H2 63 0.082 -0.857 -0.734
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
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66 14TIP3 OH2 64 -1.087 -0.689 -0.462
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
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67 14TIP3 H1 65 -1.035 -0.748 -0.405
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
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68 14TIP3 H2 66 -1.075 -0.732 -0.549
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
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69 15TIP3 OH2 67 -0.650 -0.546 -0.465
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
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70 15TIP3 H1 68 -0.561 -0.579 -0.442
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
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71 15TIP3 H2 69 -0.682 -0.615 -0.526
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
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72 16TIP3 OH2 70 0.498 -0.853 0.055
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
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73 16TIP3 H1 71 0.422 -0.796 0.031
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
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74 16TIP3 H2 72 0.505 -0.834 0.150
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
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75 17TIP3 OH2 73 -0.915 -1.025 -0.087
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
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76 17TIP3 H1 74 -0.947 -0.972 -0.162
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
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77 17TIP3 H2 75 -0.982 -1.002 -0.018
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
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78 18TIP3 OH2 76 -0.183 -0.080 -0.751
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
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79 18TIP3 H1 77 -0.207 -0.087 -0.845
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
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diff changeset
80 18TIP3 H2 78 -0.233 -0.001 -0.725
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
81 19TIP3 OH2 79 -0.639 -0.251 -0.125
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
82 19TIP3 H1 80 -0.695 -0.177 -0.091
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
83 19TIP3 H2 81 -0.559 -0.202 -0.156
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
84 20TIP3 OH2 82 0.144 -0.946 -0.459
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
85 20TIP3 H1 83 0.144 -1.031 -0.411
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
86 20TIP3 H2 84 0.184 -0.886 -0.393
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
87 21TIP3 OH2 85 -0.936 -0.870 -0.316
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
88 21TIP3 H1 86 -0.877 -0.811 -0.264
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
89 21TIP3 H2 87 -0.871 -0.906 -0.381
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
90 22TIP3 OH2 88 -0.801 -0.044 -0.032
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
91 22TIP3 H1 89 -0.792 0.054 -0.025
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
92 22TIP3 H2 90 -0.892 -0.055 0.000
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
93 23TIP3 OH2 91 -1.144 -0.119 -0.905
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
94 23TIP3 H1 92 -1.179 -0.069 -0.982
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
95 23TIP3 H2 93 -1.191 -0.079 -0.831
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
96 24TIP3 OH2 94 0.224 -1.098 -0.062
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
97 24TIP3 H1 95 0.157 -1.104 -0.133
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
98 24TIP3 H2 96 0.303 -1.077 -0.116
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
99 25TIP3 OH2 97 -0.550 -1.277 -0.423
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
100 25TIP3 H1 98 -0.518 -1.369 -0.407
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
101 25TIP3 H2 99 -0.627 -1.272 -0.363
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
102 26TIP3 OH2 100 -0.048 0.243 -0.631
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
103 26TIP3 H1 101 -0.005 0.156 -0.650
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
104 26TIP3 H2 102 0.034 0.299 -0.622
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
105 27TIP3 OH2 103 0.077 0.010 -0.696
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
106 27TIP3 H1 104 0.002 -0.037 -0.736
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
107 27TIP3 H2 105 0.093 -0.045 -0.617
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
108 28TIP3 OH2 106 -0.294 -0.422 -0.891
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
109 28TIP3 H1 107 -0.363 -0.357 -0.916
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
110 28TIP3 H2 108 -0.237 -0.420 -0.969
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
111 29TIP3 OH2 109 -0.291 -0.582 -1.222
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
112 29TIP3 H1 110 -0.219 -0.552 -1.164
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
113 29TIP3 H2 111 -0.243 -0.611 -1.301
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
114 30TIP3 OH2 112 0.408 -0.441 -0.063
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
115 30TIP3 H1 113 0.358 -0.359 -0.070
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
116 30TIP3 H2 114 0.471 -0.430 -0.138
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
117 31TIP3 OH2 115 0.071 -0.404 -0.845
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
118 31TIP3 H1 116 0.003 -0.381 -0.778
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
119 31TIP3 H2 117 0.137 -0.447 -0.787
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
120 32TIP3 OH2 118 0.031 -0.596 0.135
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
121 32TIP3 H1 119 0.029 -0.515 0.190
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
122 32TIP3 H2 120 -0.038 -0.575 0.068
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
123 33TIP3 OH2 121 -0.788 -0.355 -0.611
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
124 33TIP3 H1 122 -0.813 -0.398 -0.696
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
125 33TIP3 H2 123 -0.734 -0.424 -0.567
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
126 34TIP3 OH2 124 -0.618 0.032 -0.359
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
127 34TIP3 H1 125 -0.645 0.020 -0.451
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
128 34TIP3 H2 126 -0.550 -0.036 -0.347
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
129 35TIP3 OH2 127 -0.789 -0.447 -0.247
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
130 35TIP3 H1 128 -0.735 -0.473 -0.324
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
131 35TIP3 H2 129 -0.733 -0.378 -0.204
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
132 36TIP3 OH2 130 -0.669 -0.082 0.226
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
133 36TIP3 H1 131 -0.720 -0.006 0.262
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
134 36TIP3 H2 132 -0.699 -0.080 0.134
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
135 37TIP3 OH2 133 -0.068 -0.494 -1.062
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
136 37TIP3 H1 134 -0.016 -0.456 -0.988
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
137 37TIP3 H2 135 -0.023 -0.453 -1.139
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
138 38TIP3 OH2 136 -0.978 -0.433 0.177
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
139 38TIP3 H1 137 -0.964 -0.346 0.220
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
140 38TIP3 H2 138 -1.072 -0.426 0.154
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
141 39TIP3 OH2 139 -0.308 0.169 -0.713
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
142 39TIP3 H1 140 -0.226 0.213 -0.683
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
143 39TIP3 H2 141 -0.326 0.213 -0.797
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
144 40TIP3 OH2 142 -0.853 0.121 0.265
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
145 40TIP3 H1 143 -0.842 0.176 0.185
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
146 40TIP3 H2 144 -0.938 0.150 0.301
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
147 41TIP3 OH2 145 0.323 -1.275 -1.005
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
148 41TIP3 H1 146 0.226 -1.270 -1.017
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
149 41TIP3 H2 147 0.355 -1.201 -1.061
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
150 42TIP3 OH2 148 -0.857 -0.454 -0.863
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
151 42TIP3 H1 149 -0.911 -0.394 -0.919
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
152 42TIP3 H2 150 -0.890 -0.540 -0.890
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
153 43TIP3 OH2 151 0.431 0.149 -1.191
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
154 43TIP3 H1 152 0.453 0.242 -1.212
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
155 43TIP3 H2 153 0.519 0.106 -1.196
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
156 44TIP3 OH2 154 -1.253 -0.228 0.031
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
157 44TIP3 H1 155 -1.315 -0.246 -0.042
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
158 44TIP3 H2 156 -1.262 -0.309 0.083
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
159 45TIP3 OH2 157 -1.265 0.094 -0.275
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
160 45TIP3 H1 158 -1.187 0.062 -0.322
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
161 45TIP3 H2 159 -1.224 0.126 -0.191
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
162 46TIP3 OH2 160 0.545 0.212 0.328
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
163 46TIP3 H1 161 0.523 0.167 0.246
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
164 46TIP3 H2 162 0.454 0.224 0.364
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
165 47TIP3 OH2 163 -0.331 0.449 -0.855
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
166 47TIP3 H1 164 -0.336 0.454 -0.952
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
167 47TIP3 H2 165 -0.359 0.538 -0.828
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
168 48TIP3 OH2 166 -0.951 0.433 -0.639
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
169 48TIP3 H1 167 -0.937 0.389 -0.553
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
170 48TIP3 H2 168 -1.003 0.361 -0.683
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
171 49TIP3 OH2 169 -0.060 0.420 -1.144
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
172 49TIP3 H1 170 -0.004 0.348 -1.180
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
173 49TIP3 H2 171 -0.042 0.409 -1.048
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
174 50TIP3 OH2 172 -0.058 0.412 -0.868
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
175 50TIP3 H1 173 -0.155 0.419 -0.857
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
176 50TIP3 H2 174 -0.035 0.349 -0.798
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
177 51TIP3 OH2 175 0.214 -0.709 0.331
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
178 51TIP3 H1 176 0.150 -0.670 0.269
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
179 51TIP3 H2 177 0.215 -0.802 0.303
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
180 52TIP3 OH2 178 -1.058 -0.041 0.078
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
181 52TIP3 H1 179 -1.025 -0.079 0.162
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
182 52TIP3 H2 180 -1.129 -0.106 0.056
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
183 53TIP3 OH2 181 -0.801 -1.238 -0.231
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
184 53TIP3 H1 182 -0.871 -1.243 -0.300
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
185 53TIP3 H2 183 -0.835 -1.164 -0.178
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
186 54TIP3 OH2 184 -0.354 -1.218 0.172
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
187 54TIP3 H1 185 -0.335 -1.301 0.221
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
188 54TIP3 H2 186 -0.427 -1.247 0.114
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
189 55TIP3 OH2 187 -0.036 -0.867 0.149
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
190 55TIP3 H1 188 -0.093 -0.877 0.229
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
191 55TIP3 H2 189 -0.025 -0.770 0.144
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
192 56TIP3 OH2 190 0.046 -0.387 -1.288
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
193 56TIP3 H1 191 -0.020 -0.361 -1.356
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
194 56TIP3 H2 192 0.082 -0.299 -1.265
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
195 57TIP3 OH2 193 -0.339 -1.017 -1.189
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
196 57TIP3 H1 194 -0.391 -1.042 -1.110
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
197 57TIP3 H2 195 -0.412 -0.990 -1.248
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
198 58TIP3 OH2 196 -0.790 -0.705 -0.149
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
199 58TIP3 H1 197 -0.859 -0.702 -0.079
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
200 58TIP3 H2 198 -0.789 -0.612 -0.179
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
201 59TIP3 OH2 199 -0.785 -0.707 -0.648
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
202 59TIP3 H1 200 -0.882 -0.714 -0.659
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
203 59TIP3 H2 201 -0.757 -0.733 -0.738
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
204 60TIP3 OH2 202 -0.243 -0.671 -0.784
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
205 60TIP3 H1 203 -0.265 -0.580 -0.816
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
206 60TIP3 H2 204 -0.176 -0.699 -0.849
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
207 61TIP3 OH2 205 -0.312 -0.660 0.317
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
208 61TIP3 H1 206 -0.358 -0.735 0.359
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
209 61TIP3 H2 207 -0.230 -0.658 0.370
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
210 62TIP3 OH2 208 -0.149 -0.735 -0.526
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
211 62TIP3 H1 209 -0.191 -0.694 -0.605
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
212 62TIP3 H2 210 -0.100 -0.806 -0.572
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
213 63TIP3 OH2 211 -1.007 -0.696 0.019
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
214 63TIP3 H1 212 -1.002 -0.647 0.101
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
215 63TIP3 H2 213 -1.043 -0.782 0.049
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
216 64TIP3 OH2 214 -0.609 -0.916 -1.323
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
217 64TIP3 H1 215 -0.661 -0.958 -1.252
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
218 64TIP3 H2 216 -0.674 -0.853 -1.360
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
219 65TIP3 OH2 217 -1.298 -1.018 -0.632
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
220 65TIP3 H1 218 -1.262 -1.020 -0.541
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
221 65TIP3 H2 219 -1.239 -0.951 -0.670
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
222 66TIP3 OH2 220 -1.243 -0.876 -1.057
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
223 66TIP3 H1 221 -1.167 -0.827 -1.095
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
224 66TIP3 H2 222 -1.304 -0.871 -1.131
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
225 67TIP3 OH2 223 -0.173 -0.576 -0.053
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
226 67TIP3 H1 224 -0.139 -0.635 -0.124
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
227 67TIP3 H2 225 -0.242 -0.634 -0.015
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
228 68TIP3 OH2 226 -0.477 -0.925 -0.558
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
229 68TIP3 H1 227 -0.567 -0.949 -0.530
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
230 68TIP3 H2 228 -0.423 -0.980 -0.497
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
231 69TIP3 OH2 229 -1.043 -0.800 -0.708
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
232 69TIP3 H1 230 -1.108 -0.778 -0.777
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
233 69TIP3 H2 231 -1.006 -0.886 -0.738
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
234 70TIP3 OH2 232 -0.727 -0.794 -0.900
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
235 70TIP3 H1 233 -0.630 -0.794 -0.886
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
236 70TIP3 H2 234 -0.738 -0.740 -0.982
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
237 71TIP3 OH2 235 -0.130 -1.013 -0.228
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
238 71TIP3 H1 236 -0.180 -1.017 -0.144
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
239 71TIP3 H2 237 -0.192 -1.052 -0.292
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
240 72TIP3 OH2 238 -0.785 -0.661 -1.128
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
241 72TIP3 H1 239 -0.859 -0.681 -1.187
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
242 72TIP3 H2 240 -0.715 -0.634 -1.190
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
243 73TIP3 OH2 241 0.264 0.521 0.407
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
244 73TIP3 H1 242 0.291 0.564 0.324
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
245 73TIP3 H2 243 0.336 0.546 0.467
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
246 74TIP3 OH2 244 -0.975 -0.189 0.313
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
247 74TIP3 H1 245 -0.896 -0.175 0.368
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
248 74TIP3 H2 246 -1.046 -0.181 0.379
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
249 75TIP3 OH2 247 -0.407 -0.649 -0.364
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
250 75TIP3 H1 248 -0.352 -0.709 -0.418
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
251 75TIP3 H2 249 -0.441 -0.710 -0.296
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
252 76TIP3 OH2 250 -0.911 -1.050 -0.726
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
253 76TIP3 H1 251 -0.970 -1.128 -0.716
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
254 76TIP3 H2 252 -0.829 -1.092 -0.758
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
255 77TIP3 OH2 253 -0.528 -0.794 -0.160
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
256 77TIP3 H1 254 -0.614 -0.747 -0.148
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
257 77TIP3 H2 255 -0.477 -0.767 -0.082
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
258 78TIP3 OH2 256 -0.487 -0.230 -0.957
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
259 78TIP3 H1 257 -0.557 -0.277 -1.008
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
260 78TIP3 H2 258 -0.535 -0.211 -0.873
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
261 79TIP3 OH2 259 -0.071 -0.954 -1.175
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
262 79TIP3 H1 260 -0.166 -0.978 -1.186
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
263 79TIP3 H2 261 -0.077 -0.879 -1.112
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
264 80TIP3 OH2 262 -0.045 -0.758 -0.977
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
265 80TIP3 H1 263 0.043 -0.763 -0.937
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
266 80TIP3 H2 264 -0.044 -0.668 -1.016
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
267 81TIP3 OH2 265 -0.941 -0.251 -0.406
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
268 81TIP3 H1 266 -0.891 -0.279 -0.486
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
269 81TIP3 H2 267 -0.911 -0.315 -0.341
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
270 82TIP3 OH2 268 -0.271 -0.082 -1.009
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
271 82TIP3 H1 269 -0.306 0.010 -1.006
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
272 82TIP3 H2 270 -0.354 -0.134 -0.996
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
273 83TIP3 OH2 271 -1.272 -0.450 0.198
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
274 83TIP3 H1 272 -1.236 -0.488 0.282
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
275 83TIP3 H2 273 -1.347 -0.510 0.179
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
276 84TIP3 OH2 274 -0.523 -0.487 0.353
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
277 84TIP3 H1 275 -0.582 -0.511 0.280
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
278 84TIP3 H2 276 -0.442 -0.539 0.331
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
279 85TIP3 OH2 277 0.434 -0.698 -0.993
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
280 85TIP3 H1 278 0.398 -0.720 -1.082
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
281 85TIP3 H2 279 0.454 -0.604 -1.010
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
282 86TIP3 OH2 280 0.466 -0.137 0.269
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
283 86TIP3 H1 281 0.403 -0.065 0.257
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
284 86TIP3 H2 282 0.514 -0.139 0.184
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
285 87TIP3 OH2 283 0.320 0.164 -0.940
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
286 87TIP3 H1 284 0.253 0.096 -0.923
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
287 87TIP3 H2 285 0.344 0.146 -1.034
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
288 88TIP3 OH2 286 0.015 -0.345 -0.292
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
289 88TIP3 H1 287 -0.081 -0.359 -0.288
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
290 88TIP3 H2 288 0.044 -0.425 -0.340
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
291 89TIP3 OH2 289 -0.718 0.061 -0.630
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
292 89TIP3 H1 290 -0.690 0.085 -0.720
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
293 89TIP3 H2 291 -0.814 0.052 -0.640
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
294 90TIP3 OH2 292 -1.194 -0.447 -1.181
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
295 90TIP3 H1 293 -1.127 -0.400 -1.128
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
296 90TIP3 H2 294 -1.277 -0.414 -1.143
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
297 91TIP3 OH2 295 -0.626 -0.175 -0.736
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
298 91TIP3 H1 296 -0.644 -0.100 -0.677
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
299 91TIP3 H2 297 -0.683 -0.244 -0.695
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
300 92TIP3 OH2 298 -0.506 0.268 -0.046
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
301 92TIP3 H1 299 -0.442 0.331 -0.083
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
302 92TIP3 H2 300 -0.465 0.250 0.040
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
303 93TIP3 OH2 301 -0.688 0.339 -0.731
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
304 93TIP3 H1 302 -0.743 0.296 -0.665
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
305 93TIP3 H2 303 -0.600 0.328 -0.692
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
306 94TIP3 OH2 304 0.080 -0.111 -1.239
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
307 94TIP3 H1 305 0.104 -0.117 -1.143
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
308 94TIP3 H2 306 -0.015 -0.089 -1.235
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
309 95TIP3 OH2 307 0.505 0.418 -1.200
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
310 95TIP3 H1 308 0.568 0.484 -1.165
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
311 95TIP3 H2 309 0.421 0.456 -1.164
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
312 96TIP3 OH2 310 -1.090 -0.943 0.124
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
313 96TIP3 H1 311 -1.168 -0.910 0.172
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
314 96TIP3 H2 312 -1.072 -1.024 0.175
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
315 97TIP3 OH2 313 0.164 -0.180 -0.994
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
316 97TIP3 H1 314 0.121 -0.248 -0.939
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
317 97TIP3 H2 315 0.256 -0.186 -0.962
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
318 98TIP3 OH2 316 -1.130 0.205 -0.057
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
319 98TIP3 H1 317 -1.101 0.124 -0.009
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
320 98TIP3 H2 318 -1.108 0.273 0.009
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
321 99TIP3 OH2 319 -0.492 0.016 -1.308
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
322 99TIP3 H1 320 -0.511 -0.027 -1.393
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
323 99TIP3 H2 321 -0.580 0.016 -1.266
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
324 100TIP3 OH2 322 -0.683 0.036 -1.058
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
325 100TIP3 H1 323 -0.617 -0.013 -1.009
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
326 100TIP3 H2 324 -0.656 0.129 -1.043
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
327 101TIP3 OH2 325 -1.003 -0.307 -1.042
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
328 101TIP3 H1 326 -1.045 -0.234 -0.990
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
329 101TIP3 H2 327 -0.954 -0.258 -1.111
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
330 102TIP3 OH2 328 -0.247 -1.005 0.026
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
331 102TIP3 H1 329 -0.163 -0.981 0.069
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
332 102TIP3 H2 330 -0.279 -1.081 0.081
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
333 103TIP3 OH2 331 -0.122 -1.054 -0.863
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
334 103TIP3 H1 332 -0.128 -0.987 -0.933
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
335 103TIP3 H2 333 -0.080 -1.001 -0.792
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
336 104TIP3 OH2 334 -0.372 0.169 -1.005
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
337 104TIP3 H1 335 -0.456 0.220 -1.003
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
338 104TIP3 H2 336 -0.337 0.197 -1.092
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
339 105TIP3 OH2 337 -0.468 -0.825 -0.811
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
340 105TIP3 H1 338 -0.391 -0.765 -0.803
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
341 105TIP3 H2 339 -0.472 -0.858 -0.718
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
342 106TIP3 OH2 340 -0.359 -0.748 0.054
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
343 106TIP3 H1 341 -0.350 -0.724 0.148
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
344 106TIP3 H2 342 -0.329 -0.841 0.052
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
345 107TIP3 OH2 343 -0.348 -1.178 -0.761
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
346 107TIP3 H1 344 -0.345 -1.135 -0.674
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
347 107TIP3 H2 345 -0.268 -1.139 -0.802
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
348 108TIP3 OH2 346 -0.614 0.294 -0.995
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
349 108TIP3 H1 347 -0.615 0.383 -1.036
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
350 108TIP3 H2 348 -0.642 0.314 -0.904
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
351 109TIP3 OH2 349 -0.751 -1.009 -1.088
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
352 109TIP3 H1 350 -0.769 -0.938 -1.023
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
353 109TIP3 H2 351 -0.670 -1.047 -1.049
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
354 110TIP3 OH2 352 0.217 -0.955 0.184
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
355 110TIP3 H1 353 0.121 -0.937 0.173
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
356 110TIP3 H2 354 0.236 -0.987 0.093
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
357 111TIP3 OH2 355 0.089 -0.582 -0.428
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
358 111TIP3 H1 356 0.005 -0.629 -0.443
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
359 111TIP3 H2 357 0.137 -0.645 -0.370
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
360 112TIP3 OH2 358 -0.933 0.025 -1.172
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
361 112TIP3 H1 359 -0.849 0.032 -1.120
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
362 112TIP3 H2 360 -0.907 -0.052 -1.226
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
363 113TIP3 OH2 361 -1.095 -0.714 -1.229
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
364 113TIP3 H1 362 -1.118 -0.619 -1.221
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
365 113TIP3 H2 363 -1.096 -0.726 -1.326
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
366 114TIP3 OH2 364 0.234 0.370 -0.243
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
367 114TIP3 H1 365 0.217 0.437 -0.313
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
368 114TIP3 H2 366 0.332 0.370 -0.242
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
369 115TIP3 OH2 367 -1.015 -1.251 -0.408
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
370 115TIP3 H1 368 -1.022 -1.245 -0.505
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
371 115TIP3 H2 369 -1.053 -1.341 -0.396
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
372 116TIP3 OH2 370 -1.082 0.228 -0.753
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
373 116TIP3 H1 371 -1.162 0.239 -0.697
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
374 116TIP3 H2 372 -1.115 0.252 -0.842
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
375 117TIP3 OH2 373 -1.166 0.448 0.403
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
376 117TIP3 H1 374 -1.107 0.439 0.481
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
377 117TIP3 H2 375 -1.161 0.356 0.371
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
378 118TIP3 OH2 376 -0.335 0.235 -1.273
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
379 118TIP3 H1 377 -0.401 0.165 -1.291
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
380 118TIP3 H2 378 -0.279 0.226 -1.351
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
381 119TIP3 OH2 379 -0.028 0.080 0.391
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
382 119TIP3 H1 380 -0.098 0.030 0.438
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
383 119TIP3 H2 381 -0.002 0.142 0.461
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
384 120TIP3 OH2 382 0.111 0.223 -1.233
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
385 120TIP3 H1 383 0.141 0.133 -1.246
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
386 120TIP3 H2 384 0.168 0.273 -1.295
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
387 121TIP3 OH2 385 -1.196 -0.215 0.482
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
388 121TIP3 H1 386 -1.172 -0.309 0.476
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
389 121TIP3 H2 387 -1.284 -0.218 0.440
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
390 122TIP3 OH2 388 -0.832 -0.214 -1.257
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
391 122TIP3 H1 389 -0.766 -0.263 -1.204
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
392 122TIP3 H2 390 -0.815 -0.254 -1.346
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
393 123TIP3 OH2 391 -0.563 -0.223 0.436
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
394 123TIP3 H1 392 -0.581 -0.168 0.357
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
395 123TIP3 H2 393 -0.538 -0.309 0.397
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
396 124TIP3 OH2 394 -0.190 -0.086 -1.266
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
397 124TIP3 H1 395 -0.220 -0.097 -1.174
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
398 124TIP3 H2 396 -0.270 -0.054 -1.309
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
399 125TIP3 OH2 397 -1.130 -0.486 0.442
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
400 125TIP3 H1 398 -1.038 -0.508 0.425
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
401 125TIP3 H2 399 -1.134 -0.485 0.540
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
402 126TIP3 OH2 400 -0.674 -0.376 -1.091
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
403 126TIP3 H1 401 -0.725 -0.431 -1.030
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
404 126TIP3 H2 402 -0.629 -0.443 -1.147
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
405 127TIP3 OH2 403 -0.748 -0.590 0.170
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
406 127TIP3 H1 404 -0.823 -0.526 0.169
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
407 127TIP3 H2 405 -0.685 -0.545 0.108
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
408 128TIP3 OH2 406 -0.562 -0.564 -1.257
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
409 128TIP3 H1 407 -0.566 -0.607 -1.344
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
410 128TIP3 H2 408 -0.465 -0.566 -1.239
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
411 129TIP3 OH2 409 -0.219 -0.309 0.510
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
412 129TIP3 H1 410 -0.143 -0.363 0.488
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
413 129TIP3 H2 411 -0.279 -0.374 0.550
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
414 130TIP3 OH2 412 -0.687 -0.843 0.249
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
415 130TIP3 H1 413 -0.680 -0.896 0.167
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
416 130TIP3 H2 414 -0.709 -0.754 0.213
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
417 131TIP3 OH2 415 -0.662 -0.978 0.006
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
418 131TIP3 H1 416 -0.615 -0.928 -0.064
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
419 131TIP3 H2 417 -0.752 -0.987 -0.032
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
420 132TIP3 OH2 418 -0.558 -0.466 0.025
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
421 132TIP3 H1 419 -0.465 -0.473 0.003
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
422 132TIP3 H2 420 -0.586 -0.386 -0.024
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
423 133TIP3 OH2 421 -0.094 -0.678 0.496
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
424 133TIP3 H1 422 -0.058 -0.767 0.483
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
425 133TIP3 H2 423 -0.015 -0.627 0.522
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
426 134TIP3 OH2 424 0.064 -0.379 0.305
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
427 134TIP3 H1 425 0.044 -0.297 0.257
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
428 134TIP3 H2 426 0.163 -0.375 0.305
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
429 135TIP3 OH2 427 -0.846 -0.779 0.479
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
430 135TIP3 H1 428 -0.928 -0.830 0.468
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
431 135TIP3 H2 429 -0.803 -0.790 0.391
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
432 136TIP3 OH2 430 -0.589 -1.242 0.018
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
433 136TIP3 H1 431 -0.604 -1.146 0.026
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
434 136TIP3 H2 432 -0.614 -1.257 -0.074
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
435 137TIP3 OH2 433 -0.459 -0.874 0.405
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
436 137TIP3 H1 434 -0.503 -0.893 0.490
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
437 137TIP3 H2 435 -0.538 -0.867 0.347
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
438 138TIP3 OH2 436 -0.186 -0.928 0.361
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
439 138TIP3 H1 437 -0.281 -0.932 0.386
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
440 138TIP3 H2 438 -0.145 -0.994 0.421
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
441 139TIP3 OH2 439 -0.035 -1.084 0.535
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
442 139TIP3 H1 440 -0.070 -1.172 0.552
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
443 139TIP3 H2 441 -0.059 -1.035 0.617
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
444 140TIP3 OH2 442 -1.054 -0.954 0.462
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
445 140TIP3 H1 443 -1.053 -1.031 0.401
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
446 140TIP3 H2 444 -1.042 -1.000 0.548
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
447 141TIP3 OH2 445 -0.504 -1.161 0.491
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
448 141TIP3 H1 446 -0.479 -1.149 0.399
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
449 141TIP3 H2 447 -0.568 -1.088 0.506
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
450 142TIP3 OH2 448 -0.586 0.554 -1.080
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
451 142TIP3 H1 449 -0.491 0.537 -1.099
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
452 142TIP3 H2 450 -0.608 0.614 -1.152
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
453 143TIP3 OH2 451 -1.211 -0.010 -1.149
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
454 143TIP3 H1 452 -1.117 0.017 -1.155
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
455 143TIP3 H2 453 -1.224 -0.045 -1.238
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
456 144TIP3 OH2 454 -1.244 0.306 -0.531
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
457 144TIP3 H1 455 -1.336 0.287 -0.506
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
458 144TIP3 H2 456 -1.204 0.320 -0.443
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
459 145TIP3 OH2 457 0.504 0.403 -0.214
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
460 145TIP3 H1 458 0.517 0.469 -0.144
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
461 145TIP3 H2 459 0.592 0.404 -0.257
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
462 146TIP3 OH2 460 0.291 -0.085 0.558
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
463 146TIP3 H1 461 0.202 -0.066 0.594
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
464 146TIP3 H2 462 0.341 -0.010 0.596
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
465 147TIP3 OH2 463 0.428 -0.242 -0.904
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
466 147TIP3 H1 464 0.501 -0.178 -0.899
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
467 147TIP3 H2 465 0.447 -0.300 -0.827
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
468 148TIP3 OH2 466 0.484 -0.445 -0.719
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
469 148TIP3 H1 467 0.397 -0.479 -0.688
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
470 148TIP3 H2 468 0.533 -0.431 -0.635
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
471 149TIP3 OH2 469 0.483 -0.150 -0.200
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
472 149TIP3 H1 470 0.521 -0.226 -0.250
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
473 149TIP3 H2 471 0.514 -0.073 -0.252
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
474 150TIP3 OH2 472 0.475 -0.440 -1.084
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
475 150TIP3 H1 473 0.407 -0.420 -1.149
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
476 150TIP3 H2 474 0.458 -0.369 -1.018
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
477 151TIP3 OH2 475 0.340 -0.726 -1.243
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
478 151TIP3 H1 476 0.321 -0.669 -1.319
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
479 151TIP3 H2 477 0.287 -0.806 -1.265
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
480 152TIP3 OH2 478 0.230 -0.553 -0.666
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
481 152TIP3 H1 479 0.218 -0.644 -0.696
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
482 152TIP3 H2 480 0.184 -0.554 -0.579
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
483 153TIP3 OH2 481 -1.283 -0.390 -0.272
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
484 153TIP3 H1 482 -1.257 -0.380 -0.365
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
485 153TIP3 H2 483 -1.196 -0.403 -0.228
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
486 154TIP3 OH2 484 0.333 -0.370 0.313
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
487 154TIP3 H1 485 0.393 -0.443 0.287
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
488 154TIP3 H2 486 0.387 -0.290 0.292
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
489 155TIP3 OH2 487 0.463 -0.606 0.279
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
490 155TIP3 H1 488 0.374 -0.642 0.299
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
491 155TIP3 H2 489 0.519 -0.680 0.311
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
492 156TIP3 OH2 490 0.176 -0.943 -1.290
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
493 156TIP3 H1 491 0.233 -1.012 -1.251
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
494 156TIP3 H2 492 0.092 -0.956 -1.241
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
495 157TIP3 OH2 493 0.213 -0.796 -0.841
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
496 157TIP3 H1 494 0.248 -0.888 -0.831
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
497 157TIP3 H2 495 0.288 -0.756 -0.890
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
498 158TIP3 OH2 496 0.251 -0.759 -0.282
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
499 158TIP3 H1 497 0.348 -0.751 -0.297
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
500 158TIP3 H2 498 0.248 -0.745 -0.186
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
501 159TIP3 OH2 499 0.287 -0.683 -0.012
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
502 159TIP3 H1 500 0.203 -0.656 0.030
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
503 159TIP3 H2 501 0.331 -0.595 -0.026
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
504 160TIP3 OH2 502 -1.271 -0.870 0.322
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
505 160TIP3 H1 503 -1.195 -0.890 0.381
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
506 160TIP3 H2 504 -1.344 -0.893 0.382
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
507 161TIP3 OH2 505 0.576 -1.222 0.494
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
508 161TIP3 H1 506 0.534 -1.308 0.472
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
509 161TIP3 H2 507 0.525 -1.162 0.435
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
510 162TIP3 OH2 508 0.294 -1.060 -0.804
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
511 162TIP3 H1 509 0.300 -1.103 -0.717
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
512 162TIP3 H2 510 0.266 -1.133 -0.860
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
513 163TIP3 OH2 511 -1.163 -1.017 -0.397
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
514 163TIP3 H1 512 -1.118 -1.102 -0.383
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
515 163TIP3 H2 513 -1.102 -0.956 -0.354
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
516 164TIP3 OH2 514 -1.330 -0.655 -0.324
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
517 164TIP3 H1 515 -1.242 -0.678 -0.359
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
518 164TIP3 H2 516 -1.314 -0.564 -0.291
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
519 165TIP3 OH2 517 0.434 -1.071 0.319
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
520 165TIP3 H1 518 0.350 -1.023 0.306
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
521 165TIP3 H2 519 0.425 -1.136 0.247
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
522 166TIP3 OH2 520 0.410 -1.065 -1.151
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
523 166TIP3 H1 521 0.436 -1.086 -1.243
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
524 166TIP3 H2 522 0.490 -1.019 -1.119
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
525 167TIP3 OH2 523 -1.336 -1.101 -0.930
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
526 167TIP3 H1 524 -1.335 -1.084 -0.835
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
527 167TIP3 H2 525 -1.283 -1.026 -0.966
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
528 168TIP3 OH2 526 0.162 0.413 -0.644
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
529 168TIP3 H1 527 0.235 0.415 -0.709
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
530 168TIP3 H2 528 0.198 0.466 -0.571
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
531 169TIP3 OH2 529 -1.126 0.178 0.368
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
532 169TIP3 H1 530 -1.186 0.115 0.326
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
533 169TIP3 H2 531 -1.150 0.166 0.462
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
534 170TIP3 OH2 532 -0.778 0.230 0.012
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
535 170TIP3 H1 533 -0.802 0.324 -0.005
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
536 170TIP3 H2 534 -0.680 0.237 0.004
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
537 171TIP3 OH2 535 -0.419 0.380 0.299
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
538 171TIP3 H1 536 -0.399 0.318 0.373
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
539 171TIP3 H2 537 -0.330 0.416 0.282
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
540 172TIP3 OH2 538 -0.173 0.491 0.238
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
541 172TIP3 H1 539 -0.120 0.422 0.196
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
542 172TIP3 H2 540 -0.116 0.517 0.314
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
543 173TIP3 OH2 541 0.371 -1.247 0.119
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
544 173TIP3 H1 542 0.309 -1.196 0.063
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
545 173TIP3 H2 543 0.317 -1.325 0.141
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
546 174TIP3 OH2 544 -1.107 0.526 0.048
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
547 174TIP3 H1 545 -1.202 0.546 0.037
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
548 174TIP3 H2 546 -1.087 0.580 0.127
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
549 175TIP3 OH2 547 -0.838 0.495 -0.041
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
550 175TIP3 H1 548 -0.932 0.509 -0.016
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
551 175TIP3 H2 549 -0.833 0.543 -0.126
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
552 176TIP3 OH2 550 -0.349 0.457 -0.176
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
553 176TIP3 H1 551 -0.400 0.518 -0.229
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
554 176TIP3 H2 552 -0.322 0.515 -0.101
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
555 177TIP3 OH2 553 0.166 0.484 -0.007
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
556 177TIP3 H1 554 0.122 0.558 -0.050
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
557 177TIP3 H2 555 0.180 0.424 -0.083
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
558 178TIP3 OH2 556 -1.112 0.371 -0.287
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
559 178TIP3 H1 557 -1.122 0.322 -0.202
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
560 178TIP3 H2 558 -1.027 0.336 -0.319
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
561 179TIP3 OH2 559 -0.886 0.282 -0.419
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
562 179TIP3 H1 560 -0.904 0.186 -0.403
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
563 179TIP3 H2 561 -0.800 0.292 -0.373
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
564 180TIP3 OH2 562 -0.641 0.296 -0.298
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
565 180TIP3 H1 563 -0.624 0.201 -0.321
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
566 180TIP3 H2 564 -0.607 0.296 -0.207
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
567 181TIP3 OH2 565 -0.317 -1.116 -0.428
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
568 181TIP3 H1 566 -0.388 -1.183 -0.418
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
569 181TIP3 H2 567 -0.241 -1.170 -0.460
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
570 182TIP3 OH2 568 0.198 -1.194 -0.357
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
571 182TIP3 H1 569 0.265 -1.195 -0.428
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
572 182TIP3 H2 570 0.159 -1.283 -0.369
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
573 183TIP3 OH2 571 0.369 -1.225 -0.577
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
574 183TIP3 H1 572 0.433 -1.298 -0.576
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
575 183TIP3 H2 573 0.432 -1.148 -0.574
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
576 184TIP3 OH2 574 -1.077 -1.273 -0.678
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
577 184TIP3 H1 575 -1.174 -1.283 -0.669
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
578 184TIP3 H2 576 -1.055 -1.357 -0.723
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
579 185TIP3 OH2 577 -1.214 -1.279 -1.125
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
580 185TIP3 H1 578 -1.135 -1.224 -1.144
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
581 185TIP3 H2 579 -1.253 -1.230 -1.050
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
582 186TIP3 OH2 580 -0.628 -1.198 -0.683
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
583 186TIP3 H1 581 -0.539 -1.215 -0.716
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
584 186TIP3 H2 582 -0.618 -1.229 -0.591
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
585 187TIP3 OH2 583 -0.098 -1.252 -0.523
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
586 187TIP3 H1 584 -0.033 -1.229 -0.591
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
587 187TIP3 H2 585 -0.047 -1.314 -0.470
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
588 188TIP3 OH2 586 0.055 -1.253 -0.947
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
589 188TIP3 H1 587 -0.009 -1.181 -0.932
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
590 188TIP3 H2 588 0.070 -1.287 -0.856
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
591 189TIP3 OH2 589 -1.160 0.347 -0.992
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
592 189TIP3 H1 590 -1.251 0.314 -1.004
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
593 189TIP3 H2 591 -1.175 0.443 -0.999
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
594 190TIP3 OH2 592 -0.994 -1.126 -1.186
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
595 190TIP3 H1 593 -0.976 -1.101 -1.277
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
596 190TIP3 H2 594 -0.914 -1.094 -1.141
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
597 191TIP3 OH2 595 -0.501 -1.049 -0.966
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
598 191TIP3 H1 596 -0.472 -1.112 -0.897
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
599 191TIP3 H2 597 -0.491 -0.964 -0.917
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
600 192TIP3 OH2 598 -0.329 0.468 -1.129
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
601 192TIP3 H1 599 -0.231 0.475 -1.138
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
602 192TIP3 H2 600 -0.342 0.392 -1.190
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
603 193TIP3 OH2 601 0.364 0.411 -0.839
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
604 193TIP3 H1 602 0.349 0.318 -0.870
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
605 193TIP3 H2 603 0.348 0.460 -0.922
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
606 194TIP3 OH2 604 -1.047 -1.173 0.300
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
607 194TIP3 H1 605 -1.115 -1.239 0.284
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
608 194TIP3 H2 606 -0.983 -1.223 0.357
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
609 195TIP3 OH2 607 -0.867 -1.313 0.461
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
610 195TIP3 H1 608 -0.772 -1.311 0.482
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
611 195TIP3 H2 609 -0.884 -1.409 0.472
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
612 196TIP3 OH2 610 -0.988 0.297 -1.221
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
613 196TIP3 H1 611 -1.042 0.310 -1.141
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
614 196TIP3 H2 612 -0.958 0.205 -1.210
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
615 197TIP3 OH2 613 0.278 0.248 0.376
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
616 197TIP3 H1 614 0.203 0.218 0.323
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
617 197TIP3 H2 615 0.260 0.344 0.385
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
618 198TIP3 OH2 616 0.827 -0.485 -0.156
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
619 198TIP3 H1 617 0.835 -0.549 -0.083
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
620 198TIP3 H2 618 0.921 -0.469 -0.178
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
621 199TIP3 OH2 619 0.947 -0.028 -0.340
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
622 199TIP3 H1 620 0.910 -0.114 -0.365
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
623 199TIP3 H2 621 1.042 -0.051 -0.328
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
624 200TIP3 OH2 622 0.631 -0.674 -0.793
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
625 200TIP3 H1 623 0.601 -0.586 -0.766
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
626 200TIP3 H2 624 0.558 -0.698 -0.853
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
627 201TIP3 OH2 625 0.682 -0.434 -0.513
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
628 201TIP3 H1 626 0.715 -0.525 -0.498
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
629 201TIP3 H2 627 0.763 -0.381 -0.496
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
630 202TIP3 OH2 628 1.069 -0.974 -0.518
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
631 202TIP3 H1 629 1.127 -0.909 -0.560
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
632 202TIP3 H2 630 1.024 -1.012 -0.595
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
633 203TIP3 OH2 631 0.756 -0.695 -0.451
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
634 203TIP3 H1 632 0.816 -0.744 -0.391
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
635 203TIP3 H2 633 0.791 -0.724 -0.538
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
636 204TIP3 OH2 634 1.179 -0.550 -0.479
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
637 204TIP3 H1 635 1.250 -0.593 -0.425
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
638 204TIP3 H2 636 1.162 -0.622 -0.543
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
639 205TIP3 OH2 637 0.965 -1.021 -0.085
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
640 205TIP3 H1 638 0.935 -0.967 -0.161
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
641 205TIP3 H2 639 0.895 -0.998 -0.019
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
642 206TIP3 OH2 640 1.200 -0.242 -0.118
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
643 206TIP3 H1 641 1.160 -0.170 -0.065
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
644 206TIP3 H2 642 1.222 -0.193 -0.200
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
645 207TIP3 OH2 643 0.927 -0.870 -0.313
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
646 207TIP3 H1 644 0.993 -0.818 -0.263
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
647 207TIP3 H2 645 0.984 -0.912 -0.382
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
648 208TIP3 OH2 646 1.082 -0.038 0.014
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
649 208TIP3 H1 647 1.089 0.058 -0.006
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
650 208TIP3 H2 648 0.986 -0.044 0.034
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
651 209TIP3 OH2 649 0.656 -0.077 -0.922
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
652 209TIP3 H1 650 0.650 -0.029 -1.007
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
653 209TIP3 H2 651 0.677 -0.004 -0.859
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
654 210TIP3 OH2 652 1.103 -0.328 -0.624
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
655 210TIP3 H1 653 1.086 -0.359 -0.715
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
656 210TIP3 H2 654 1.145 -0.407 -0.582
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
657 211TIP3 OH2 655 1.224 -0.074 -0.332
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
658 211TIP3 H1 656 1.246 -0.104 -0.422
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
659 211TIP3 H2 657 1.302 -0.016 -0.314
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
660 212TIP3 OH2 658 1.089 -0.460 -0.230
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
661 212TIP3 H1 659 1.137 -0.475 -0.315
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
662 212TIP3 H2 660 1.143 -0.387 -0.191
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
663 213TIP3 OH2 661 1.220 -0.021 0.252
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
664 213TIP3 H1 662 1.161 0.053 0.278
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
665 213TIP3 H2 663 1.186 -0.036 0.161
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
666 214TIP3 OH2 664 0.924 -0.440 0.200
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
667 214TIP3 H1 665 0.930 -0.349 0.236
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
668 214TIP3 H2 666 0.834 -0.436 0.161
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
669 215TIP3 OH2 667 1.033 0.176 0.287
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
670 215TIP3 H1 668 1.019 0.198 0.193
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
671 215TIP3 H2 669 0.942 0.150 0.317
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
672 216TIP3 OH2 670 1.024 -0.422 -0.878
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
673 216TIP3 H1 671 0.965 -0.356 -0.921
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
674 216TIP3 H2 672 0.968 -0.501 -0.880
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
675 217TIP3 OH2 673 0.607 -0.181 0.043
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
676 217TIP3 H1 674 0.564 -0.176 -0.045
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
677 217TIP3 H2 675 0.623 -0.278 0.053
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
678 218TIP3 OH2 676 0.604 0.083 -0.296
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
679 218TIP3 H1 677 0.698 0.072 -0.281
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
680 218TIP3 H2 678 0.579 0.143 -0.224
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
681 219TIP3 OH2 679 0.899 0.336 -0.665
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
682 219TIP3 H1 680 0.920 0.300 -0.576
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
683 219TIP3 H2 681 0.837 0.268 -0.698
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
684 220TIP3 OH2 682 0.822 -0.022 0.100
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
685 220TIP3 H1 683 0.845 -0.062 0.187
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
686 220TIP3 H2 684 0.743 -0.076 0.077
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
687 221TIP3 OH2 685 1.058 -1.247 -0.213
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
688 221TIP3 H1 686 1.002 -1.240 -0.293
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
689 221TIP3 H2 687 1.028 -1.166 -0.165
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
690 222TIP3 OH2 688 1.076 -0.726 -0.138
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
691 222TIP3 H1 689 1.009 -0.710 -0.068
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
692 222TIP3 H2 690 1.093 -0.636 -0.172
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
693 223TIP3 OH2 691 1.132 -0.744 -0.670
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
694 223TIP3 H1 692 1.034 -0.743 -0.666
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
695 223TIP3 H2 693 1.144 -0.776 -0.762
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
696 224TIP3 OH2 694 0.870 -0.685 0.036
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
697 224TIP3 H1 695 0.878 -0.652 0.127
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
698 224TIP3 H2 696 0.832 -0.775 0.051
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
699 225TIP3 OH2 697 1.216 -0.886 -1.264
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
700 225TIP3 H1 698 1.187 -0.960 -1.207
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
701 225TIP3 H2 699 1.158 -0.896 -1.340
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
702 226TIP3 OH2 700 0.544 -1.023 -0.578
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
703 226TIP3 H1 701 0.591 -1.014 -0.493
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
704 226TIP3 H2 702 0.579 -0.950 -0.629
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
705 227TIP3 OH2 703 0.613 -0.912 -1.038
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
706 227TIP3 H1 704 0.684 -0.870 -1.091
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
707 227TIP3 H2 705 0.557 -0.835 -1.019
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
708 228TIP3 OH2 706 0.861 -0.781 -0.688
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
709 228TIP3 H1 707 0.783 -0.749 -0.740
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
710 228TIP3 H2 708 0.867 -0.875 -0.715
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
711 229TIP3 OH2 709 1.191 -0.790 -0.931
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
712 229TIP3 H1 710 1.287 -0.771 -0.923
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
713 229TIP3 H2 711 1.166 -0.729 -1.003
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
714 230TIP3 OH2 712 1.114 -0.652 -1.158
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
715 230TIP3 H1 713 1.023 -0.657 -1.189
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
716 230TIP3 H2 714 1.158 -0.720 -1.214
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
717 231TIP3 OH2 715 0.899 -0.195 0.331
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
718 231TIP3 H1 716 0.964 -0.203 0.403
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
719 231TIP3 H2 717 0.819 -0.171 0.381
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
720 232TIP3 OH2 718 0.930 -1.043 -0.752
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
721 232TIP3 H1 719 0.890 -1.129 -0.728
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
722 232TIP3 H2 720 0.965 -1.062 -0.840
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
723 233TIP3 OH2 721 0.910 -0.300 -0.426
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
724 233TIP3 H1 722 0.975 -0.301 -0.499
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
725 233TIP3 H2 723 0.956 -0.350 -0.357
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
726 234TIP3 OH2 724 0.650 -0.444 0.135
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
727 234TIP3 H1 725 0.634 -0.473 0.227
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
728 234TIP3 H2 726 0.577 -0.490 0.091
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
729 235TIP3 OH2 727 1.152 0.102 -0.684
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
730 235TIP3 H1 728 1.161 0.186 -0.732
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
731 235TIP3 H2 729 1.068 0.114 -0.639
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
732 236TIP3 OH2 730 0.743 -0.476 -1.154
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
733 236TIP3 H1 731 0.789 -0.403 -1.108
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
734 236TIP3 H2 732 0.653 -0.467 -1.116
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
735 237TIP3 OH2 733 1.286 -0.120 -0.592
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
736 237TIP3 H1 734 1.239 -0.041 -0.627
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
737 237TIP3 H2 735 1.222 -0.192 -0.612
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
738 238TIP3 OH2 736 1.148 0.370 -0.777
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
739 238TIP3 H1 737 1.056 0.372 -0.746
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
740 238TIP3 H2 738 1.186 0.446 -0.728
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
741 239TIP3 OH2 739 0.762 -0.941 0.080
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
742 239TIP3 H1 740 0.667 -0.922 0.066
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
743 239TIP3 H2 741 0.759 -1.009 0.150
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
744 240TIP3 OH2 742 0.766 0.218 -0.074
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
745 240TIP3 H1 743 0.789 0.136 -0.027
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
746 240TIP3 H2 744 0.771 0.284 -0.003
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
747 241TIP3 OH2 745 1.332 0.106 -1.395
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
748 241TIP3 H1 746 1.316 0.010 -1.396
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
749 241TIP3 H2 747 1.316 0.129 -1.302
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
750 242TIP3 OH2 748 1.208 0.054 -1.094
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
751 242TIP3 H1 749 1.296 0.013 -1.087
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
752 242TIP3 H2 750 1.226 0.143 -1.057
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
753 243TIP3 OH2 751 0.849 -0.256 -1.009
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
754 243TIP3 H1 752 0.779 -0.203 -0.964
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
755 243TIP3 H2 753 0.897 -0.184 -1.055
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
756 244TIP3 OH2 754 1.270 0.307 -1.016
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
757 244TIP3 H1 755 1.255 0.382 -1.077
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
758 244TIP3 H2 756 1.221 0.336 -0.935
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
759 245TIP3 OH2 757 1.119 -1.034 -1.043
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
760 245TIP3 H1 758 1.129 -0.950 -0.994
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
761 245TIP3 H2 759 1.198 -1.082 -1.010
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
762 246TIP3 OH2 760 0.944 -0.016 -1.145
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
763 246TIP3 H1 761 1.029 0.022 -1.114
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
764 246TIP3 H2 762 0.980 -0.087 -1.202
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
765 247TIP3 OH2 763 0.777 -0.753 -1.204
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
766 247TIP3 H1 764 0.772 -0.656 -1.195
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
767 247TIP3 H2 765 0.794 -0.764 -1.299
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
768 248TIP3 OH2 766 0.849 -1.237 -0.408
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
769 248TIP3 H1 767 0.854 -1.244 -0.505
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
770 248TIP3 H2 768 0.808 -1.324 -0.388
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
771 249TIP3 OH2 769 0.711 0.155 -0.768
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
772 249TIP3 H1 770 0.649 0.194 -0.704
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
773 249TIP3 H2 771 0.700 0.216 -0.846
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
774 250TIP3 OH2 772 0.684 0.449 0.388
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
775 250TIP3 H1 773 0.743 0.412 0.458
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
776 250TIP3 H2 774 0.638 0.367 0.359
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
777 251TIP3 OH2 775 1.104 0.309 0.517
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
778 251TIP3 H1 776 1.182 0.256 0.542
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
779 251TIP3 H2 777 1.085 0.269 0.430
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
780 252TIP3 OH2 778 0.652 -0.189 0.466
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
781 252TIP3 H1 779 0.661 -0.286 0.452
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
782 252TIP3 H2 780 0.579 -0.168 0.404
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
783 253TIP3 OH2 781 1.067 -0.230 -1.250
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
784 253TIP3 H1 782 1.120 -0.290 -1.195
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
785 253TIP3 H2 783 1.135 -0.204 -1.317
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
786 254TIP3 OH2 784 1.271 -0.263 0.355
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
787 254TIP3 H1 785 1.251 -0.181 0.304
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
788 254TIP3 H2 786 1.310 -0.320 0.287
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
789 255TIP3 OH2 787 0.726 -0.451 0.428
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
790 255TIP3 H1 788 0.816 -0.461 0.394
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
791 255TIP3 H2 789 0.739 -0.465 0.524
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
792 256TIP3 OH2 790 1.215 -0.406 -1.089
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
793 256TIP3 H1 791 1.167 -0.400 -1.004
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
794 256TIP3 H2 792 1.189 -0.496 -1.118
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
795 257TIP3 OH2 793 1.174 -0.550 0.130
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
796 257TIP3 H1 794 1.089 -0.509 0.156
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
797 257TIP3 H2 795 1.178 -0.529 0.036
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
798 258TIP3 OH2 796 1.117 -0.807 0.221
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
799 258TIP3 H1 797 1.163 -0.869 0.162
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
800 258TIP3 H2 798 1.153 -0.722 0.189
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
801 259TIP3 OH2 799 1.217 -0.956 -0.001
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
802 259TIP3 H1 800 1.239 -0.888 -0.067
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
803 259TIP3 H2 801 1.125 -0.977 -0.027
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
804 260TIP3 OH2 802 1.033 -0.782 0.475
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
805 260TIP3 H1 803 0.952 -0.836 0.466
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
806 260TIP3 H2 804 1.064 -0.781 0.382
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
807 261TIP3 OH2 805 1.256 -1.235 -0.006
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
808 261TIP3 H1 806 1.270 -1.139 0.002
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
809 261TIP3 H2 807 1.206 -1.240 -0.089
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
810 262TIP3 OH2 808 0.808 -0.946 0.469
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
811 262TIP3 H1 809 0.807 -1.020 0.403
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
812 262TIP3 H2 810 0.830 -0.997 0.550
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
813 263TIP3 OH2 811 1.286 0.537 -1.173
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
814 263TIP3 H1 812 1.368 0.567 -1.127
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
815 263TIP3 H2 813 1.230 0.614 -1.165
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
816 264TIP3 OH2 814 0.678 0.020 -1.188
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
817 264TIP3 H1 815 0.775 0.023 -1.173
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
818 264TIP3 H2 816 0.673 -0.035 -1.266
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
819 265TIP3 OH2 817 0.556 0.493 -0.664
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
820 265TIP3 H1 818 0.494 0.464 -0.734
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
821 265TIP3 H2 819 0.567 0.409 -0.614
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
822 266TIP3 OH2 820 0.612 0.262 -0.525
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
823 266TIP3 H1 821 0.581 0.181 -0.480
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
824 266TIP3 H2 822 0.657 0.306 -0.451
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
825 267TIP3 OH2 823 0.595 -0.396 -0.257
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
826 267TIP3 H1 824 0.616 -0.407 -0.352
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
827 267TIP3 H2 825 0.682 -0.420 -0.218
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
828 268TIP3 OH2 826 0.584 -0.841 0.339
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
829 268TIP3 H1 827 0.666 -0.866 0.384
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
830 268TIP3 H2 828 0.531 -0.923 0.349
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
831 269TIP3 OH2 829 0.693 -1.015 -0.350
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
832 269TIP3 H1 830 0.742 -1.100 -0.364
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
833 269TIP3 H2 831 0.769 -0.956 -0.332
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
834 270TIP3 OH2 832 0.525 -0.722 -0.296
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
835 270TIP3 H1 833 0.597 -0.724 -0.362
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
836 270TIP3 H2 834 0.557 -0.654 -0.236
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
837 271TIP3 OH2 835 0.572 -1.143 -0.887
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
838 271TIP3 H1 836 0.483 -1.120 -0.854
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
839 271TIP3 H2 837 0.599 -1.057 -0.926
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
840 272TIP3 OH2 838 0.533 -1.288 -0.101
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
841 272TIP3 H1 839 0.506 -1.278 -0.009
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
842 272TIP3 H2 840 0.519 -1.197 -0.136
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
843 273TIP3 OH2 841 0.793 0.114 0.403
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
844 273TIP3 H1 842 0.701 0.140 0.380
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
845 273TIP3 H2 843 0.789 0.117 0.500
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
846 274TIP3 OH2 844 1.109 0.234 0.017
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
847 274TIP3 H1 845 1.084 0.322 -0.017
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
848 274TIP3 H2 846 1.199 0.251 0.045
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
849 275TIP3 OH2 847 0.815 0.537 0.032
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
850 275TIP3 H1 848 0.728 0.565 -0.004
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
851 275TIP3 H2 849 0.817 0.587 0.115
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
852 276TIP3 OH2 850 1.077 0.495 -0.052
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
853 276TIP3 H1 851 0.985 0.514 -0.022
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
854 276TIP3 H2 852 1.077 0.544 -0.137
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
855 277TIP3 OH2 853 0.763 0.367 -0.310
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
856 277TIP3 H1 854 0.770 0.323 -0.222
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
857 277TIP3 H2 855 0.841 0.327 -0.354
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
858 278TIP3 OH2 856 0.972 0.232 -0.423
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
859 278TIP3 H1 857 0.961 0.139 -0.392
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
860 278TIP3 H2 858 1.064 0.250 -0.394
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
861 279TIP3 OH2 859 1.232 0.278 -0.335
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
862 279TIP3 H1 860 1.291 0.205 -0.306
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
863 279TIP3 H2 861 1.247 0.344 -0.266
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
864 280TIP3 OH2 862 0.845 -1.293 -0.678
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
865 280TIP3 H1 863 0.763 -1.328 -0.720
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
866 280TIP3 H2 864 0.902 -1.372 -0.684
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
867 281TIP3 OH2 865 0.678 -1.292 -1.105
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
868 281TIP3 H1 866 0.752 -1.231 -1.126
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
869 281TIP3 H2 867 0.630 -1.238 -1.039
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
870 282TIP3 OH2 868 1.315 -1.275 -0.623
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
871 282TIP3 H1 869 1.334 -1.178 -0.621
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
872 282TIP3 H2 870 1.235 -1.280 -0.570
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
873 283TIP3 OH2 871 0.678 0.326 -0.975
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
874 283TIP3 H1 872 0.610 0.307 -1.041
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
875 283TIP3 H2 873 0.678 0.423 -0.978
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
876 284TIP3 OH2 874 0.885 -1.129 -1.160
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
877 284TIP3 H1 875 0.907 -1.128 -1.253
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
878 284TIP3 H2 876 0.968 -1.098 -1.117
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
879 285TIP3 OH2 877 0.804 -1.163 0.301
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
880 285TIP3 H1 878 0.729 -1.216 0.329
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
881 285TIP3 H2 879 0.877 -1.209 0.347
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
882 286TIP3 OH2 880 0.994 -1.296 0.460
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
883 286TIP3 H1 881 1.087 -1.294 0.435
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
884 286TIP3 H2 882 0.980 -1.393 0.465
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
885 287TIP3 OH2 883 0.862 0.356 -1.216
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
886 287TIP3 H1 884 0.822 0.432 -1.170
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
887 287TIP3 H2 885 0.863 0.290 -1.145
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
888 288TIP3 OH2 886 -1.337 1.202 -0.767
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
889 288TIP3 H1 887 -1.369 1.284 -0.721
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
890 288TIP3 H2 888 -1.360 1.134 -0.701
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
891 289TIP3 OH2 889 0.475 0.844 -0.161
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
892 289TIP3 H1 890 0.495 0.922 -0.104
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
893 289TIP3 H2 891 0.534 0.862 -0.237
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
894 290TIP3 OH2 892 -0.137 1.134 -0.264
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
895 290TIP3 H1 893 -0.118 1.039 -0.255
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
896 290TIP3 H2 894 -0.140 1.142 -0.361
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
897 291TIP3 OH2 895 -0.728 0.950 -0.501
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
898 291TIP3 H1 896 -0.748 1.036 -0.546
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
899 291TIP3 H2 897 -0.785 0.890 -0.550
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
900 292TIP3 OH2 898 0.001 0.955 -0.694
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
901 292TIP3 H1 899 0.043 0.933 -0.608
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
902 292TIP3 H2 900 0.073 1.002 -0.740
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
903 293TIP3 OH2 901 -1.104 1.190 -0.435
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
904 293TIP3 H1 902 -1.039 1.128 -0.394
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
905 293TIP3 H2 903 -1.109 1.156 -0.525
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
906 294TIP3 OH2 904 0.510 1.025 0.042
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
907 294TIP3 H1 905 0.437 1.086 0.019
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
908 294TIP3 H2 906 0.526 1.049 0.135
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
909 295TIP3 OH2 907 -0.920 0.849 -0.102
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
910 295TIP3 H1 908 -0.942 0.924 -0.161
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
911 295TIP3 H2 909 -0.989 0.858 -0.033
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
912 296TIP3 OH2 910 0.094 0.937 -0.440
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
913 296TIP3 H1 911 0.033 0.902 -0.371
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
914 296TIP3 H2 912 0.164 0.978 -0.385
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
915 297TIP3 OH2 913 -0.911 1.036 -0.309
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
916 297TIP3 H1 914 -0.862 1.097 -0.250
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
917 297TIP3 H2 915 -0.839 1.004 -0.366
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
918 298TIP3 OH2 916 0.224 0.799 -0.060
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
919 298TIP3 H1 917 0.156 0.819 -0.126
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
920 298TIP3 H2 918 0.307 0.810 -0.112
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
921 299TIP3 OH2 919 -0.595 0.551 -0.397
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
922 299TIP3 H1 920 -0.605 0.458 -0.367
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
923 299TIP3 H2 921 -0.668 0.594 -0.347
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
924 300TIP3 OH2 922 -0.330 1.286 -1.251
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
925 300TIP3 H1 923 -0.282 1.334 -1.183
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
926 300TIP3 H2 924 -0.263 1.225 -1.285
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
927 301TIP3 OH2 925 0.094 1.336 0.111
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
928 301TIP3 H1 926 0.059 1.421 0.140
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
929 301TIP3 H2 927 0.015 1.299 0.065
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
930 302TIP3 OH2 928 0.315 0.567 -1.070
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
931 302TIP3 H1 929 0.227 0.592 -1.035
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
932 302TIP3 H2 930 0.347 0.653 -1.105
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
933 303TIP3 OH2 931 0.223 1.177 0.308
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
934 303TIP3 H1 932 0.163 1.216 0.242
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
935 303TIP3 H2 933 0.224 1.083 0.280
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
936 304TIP3 OH2 934 -0.817 0.652 -0.269
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
937 304TIP3 H1 935 -0.900 0.646 -0.321
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
938 304TIP3 H2 936 -0.837 0.732 -0.215
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
939 305TIP3 OH2 937 -0.323 0.620 0.048
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
940 305TIP3 H1 938 -0.276 0.573 0.121
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
941 305TIP3 H2 939 -0.416 0.612 0.076
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
942 306TIP3 OH2 940 -0.035 1.029 0.160
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
943 306TIP3 H1 941 -0.096 1.016 0.236
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
944 306TIP3 H2 942 -0.080 1.098 0.107
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
945 307TIP3 OH2 943 -0.342 0.897 -1.197
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
946 307TIP3 H1 944 -0.397 0.871 -1.121
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
947 307TIP3 H2 945 -0.415 0.909 -1.261
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
948 308TIP3 OH2 946 -0.777 1.201 -0.139
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
949 308TIP3 H1 947 -0.848 1.186 -0.072
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
950 308TIP3 H2 948 -0.792 1.294 -0.165
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
951 309TIP3 OH2 949 -0.822 1.153 -0.648
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
952 309TIP3 H1 950 -0.916 1.161 -0.675
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
953 309TIP3 H2 951 -0.780 1.146 -0.736
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
954 310TIP3 OH2 952 -0.243 1.226 -0.778
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
955 310TIP3 H1 953 -0.266 1.321 -0.784
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
956 310TIP3 H2 954 -0.172 1.216 -0.844
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
957 311TIP3 OH2 955 -0.308 1.248 0.309
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
958 311TIP3 H1 956 -0.371 1.186 0.353
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
959 311TIP3 H2 957 -0.233 1.242 0.370
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
960 312TIP3 OH2 958 -0.141 1.128 -0.535
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
961 312TIP3 H1 959 -0.193 1.174 -0.605
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
962 312TIP3 H2 960 -0.101 1.057 -0.590
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
963 313TIP3 OH2 961 -0.986 1.126 0.022
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
964 313TIP3 H1 962 -0.999 1.184 0.098
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
965 313TIP3 H2 963 -1.034 1.046 0.050
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
966 314TIP3 OH2 964 -0.606 0.933 -1.289
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
967 314TIP3 H1 965 -0.669 0.907 -1.219
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
968 314TIP3 H2 966 -0.661 0.991 -1.344
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
969 315TIP3 OH2 967 -1.346 0.968 -0.611
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
970 315TIP3 H1 968 -1.292 0.945 -0.532
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
971 315TIP3 H2 969 -1.306 0.909 -0.677
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
972 316TIP3 OH2 970 -1.238 0.996 -1.020
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
973 316TIP3 H1 971 -1.185 1.041 -1.091
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
974 316TIP3 H2 972 -1.323 1.040 -1.032
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
975 317TIP3 OH2 973 -0.126 1.230 -0.008
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
976 317TIP3 H1 974 -0.121 1.204 -0.103
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
977 317TIP3 H2 975 -0.222 1.228 0.005
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
978 318TIP3 OH2 976 -0.467 0.900 -0.580
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
979 318TIP3 H1 977 -0.552 0.920 -0.535
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
980 318TIP3 H2 978 -0.411 0.876 -0.503
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
981 319TIP3 OH2 979 -1.072 1.150 -0.761
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
982 319TIP3 H1 980 -1.168 1.164 -0.770
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
983 319TIP3 H2 981 -1.053 1.105 -0.844
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
984 320TIP3 OH2 982 -0.727 1.086 -0.900
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
985 320TIP3 H1 983 -0.631 1.090 -0.880
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
986 320TIP3 H2 984 -0.733 1.139 -0.983
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
987 321TIP3 OH2 985 -0.088 0.862 -0.241
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
988 321TIP3 H1 986 -0.133 0.861 -0.154
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
989 321TIP3 H2 987 -0.156 0.818 -0.296
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
990 322TIP3 OH2 988 -0.760 1.206 -1.139
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
991 322TIP3 H1 989 -0.831 1.190 -1.201
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
992 322TIP3 H2 990 -0.703 1.268 -1.189
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
993 323TIP3 OH2 991 -0.447 1.177 -0.365
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
994 323TIP3 H1 992 -0.356 1.145 -0.371
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
995 323TIP3 H2 993 -0.483 1.119 -0.295
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
996 324TIP3 OH2 994 -0.549 1.055 -0.141
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
997 324TIP3 H1 995 -0.624 1.118 -0.136
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
998 324TIP3 H2 996 -0.488 1.088 -0.071
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
999 325TIP3 OH2 997 -0.083 0.928 -1.090
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1000 325TIP3 H1 998 -0.163 0.912 -1.145
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1001 325TIP3 H2 999 -0.092 1.022 -1.067
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1002 326TIP3 OH2 1000 -0.035 1.189 -0.970
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1003 326TIP3 H1 1001 0.046 1.146 -0.937
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1004 326TIP3 H2 1002 -0.001 1.279 -0.989
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1005 327TIP3 OH2 1003 0.427 1.178 -1.001
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1006 327TIP3 H1 1004 0.405 1.155 -1.096
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1007 327TIP3 H2 1005 0.398 1.272 -1.003
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1008 328TIP3 OH2 1006 -1.105 0.896 0.117
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1009 328TIP3 H1 1007 -1.174 0.940 0.171
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1010 328TIP3 H2 1008 -1.092 0.814 0.170
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1011 329TIP3 OH2 1009 -0.217 0.871 0.004
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1012 329TIP3 H1 1010 -0.150 0.877 0.073
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1013 329TIP3 H2 1011 -0.257 0.783 0.021
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1014 330TIP3 OH2 1012 -0.144 0.793 -0.857
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1015 330TIP3 H1 1013 -0.125 0.838 -0.942
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1016 330TIP3 H2 1014 -0.098 0.853 -0.793
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1017 331TIP3 OH2 1015 -0.463 1.061 -0.807
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1018 331TIP3 H1 1016 -0.387 1.122 -0.799
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1019 331TIP3 H2 1017 -0.462 1.019 -0.719
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1020 332TIP3 OH2 1018 -0.371 1.117 0.058
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1021 332TIP3 H1 1019 -0.356 1.144 0.151
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1022 332TIP3 H2 1020 -0.326 1.030 0.053
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1023 333TIP3 OH2 1021 -0.391 0.715 -0.768
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1024 333TIP3 H1 1022 -0.406 0.786 -0.701
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1025 333TIP3 H2 1023 -0.300 0.738 -0.798
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1026 334TIP3 OH2 1024 -0.767 0.860 -1.054
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1027 334TIP3 H1 1025 -0.777 0.942 -1.001
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1028 334TIP3 H2 1026 -0.675 0.838 -1.031
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1029 335TIP3 OH2 1027 0.215 0.934 0.181
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1030 335TIP3 H1 1028 0.120 0.958 0.177
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1031 335TIP3 H2 1029 0.227 0.897 0.091
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1032 336TIP3 OH2 1030 0.097 1.259 -0.429
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1033 336TIP3 H1 1031 0.029 1.198 -0.462
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1034 336TIP3 H2 1032 0.155 1.197 -0.380
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1035 337TIP3 OH2 1033 -1.137 1.162 -1.211
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1036 337TIP3 H1 1034 -1.161 1.252 -1.183
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1037 337TIP3 H2 1035 -1.114 1.174 -1.304
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1038 338TIP3 OH2 1036 -1.060 0.618 -0.394
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1039 338TIP3 H1 1037 -1.066 0.579 -0.482
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1040 338TIP3 H2 1038 -1.094 0.544 -0.339
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1041 339TIP3 OH2 1039 -0.756 1.294 0.167
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1042 339TIP3 H1 1040 -0.786 1.365 0.224
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1043 339TIP3 H2 1041 -0.692 1.340 0.109
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1044 340TIP3 OH2 1042 -0.593 1.334 -1.321
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1045 340TIP3 H1 1043 -0.618 1.252 -1.369
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1046 340TIP3 H2 1044 -0.499 1.317 -1.297
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1047 341TIP3 OH2 1045 -0.704 1.040 0.251
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1048 341TIP3 H1 1046 -0.695 0.978 0.176
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1049 341TIP3 H2 1047 -0.722 1.125 0.204
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1050 342TIP3 OH2 1048 -0.677 0.874 0.025
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1051 342TIP3 H1 1049 -0.624 0.921 -0.042
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1052 342TIP3 H2 1050 -0.763 0.867 -0.020
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1053 343TIP3 OH2 1051 -0.086 1.173 0.507
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1054 343TIP3 H1 1052 -0.111 1.084 0.475
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1055 343TIP3 H2 1053 0.008 1.175 0.484
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1056 344TIP3 OH2 1054 -0.862 1.110 0.469
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1057 344TIP3 H1 1055 -0.937 1.047 0.465
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1058 344TIP3 H2 1056 -0.811 1.083 0.389
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1059 345TIP3 OH2 1057 -0.604 0.614 0.081
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1060 345TIP3 H1 1058 -0.628 0.709 0.068
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1061 345TIP3 H2 1059 -0.680 0.569 0.040
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1062 346TIP3 OH2 1060 -0.466 1.044 0.398
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1063 346TIP3 H1 1061 -0.497 1.003 0.481
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1064 346TIP3 H2 1062 -0.549 1.040 0.346
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1065 347TIP3 OH2 1063 -0.199 0.961 0.362
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1066 347TIP3 H1 1064 -0.296 0.961 0.380
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1067 347TIP3 H2 1065 -0.167 0.887 0.417
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1068 348TIP3 OH2 1066 -0.025 0.823 0.539
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1069 348TIP3 H1 1067 -0.029 0.728 0.516
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1070 348TIP3 H2 1068 -0.054 0.825 0.631
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1071 349TIP3 OH2 1069 -1.048 0.903 0.463
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1072 349TIP3 H1 1070 -1.051 0.824 0.406
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1073 349TIP3 H2 1071 -1.037 0.861 0.551
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1074 350TIP3 OH2 1072 -0.624 0.550 0.347
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1075 350TIP3 H1 1073 -0.559 0.477 0.350
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1076 350TIP3 H2 1074 -0.614 0.574 0.253
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1077 351TIP3 OH2 1075 -0.487 0.748 0.489
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1078 351TIP3 H1 1076 -0.528 0.671 0.446
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1079 351TIP3 H2 1077 -0.566 0.802 0.511
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1080 352TIP3 OH2 1078 0.350 1.120 -1.251
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1081 352TIP3 H1 1079 0.328 1.179 -1.325
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1082 352TIP3 H2 1080 0.296 1.042 -1.273
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1083 353TIP3 OH2 1081 0.146 1.319 -0.719
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1084 353TIP3 H1 1082 0.176 1.229 -0.740
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1085 353TIP3 H2 1083 0.194 1.336 -0.636
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1086 354TIP3 OH2 1084 0.464 1.245 0.412
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1087 354TIP3 H1 1085 0.377 1.230 0.368
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1088 354TIP3 H2 1086 0.517 1.172 0.372
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1089 355TIP3 OH2 1087 0.166 0.912 -1.273
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1090 355TIP3 H1 1088 0.237 0.850 -1.251
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1091 355TIP3 H2 1089 0.101 0.895 -1.202
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1092 356TIP3 OH2 1090 0.208 1.068 -0.851
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1093 356TIP3 H1 1091 0.236 0.973 -0.850
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1094 356TIP3 H2 1092 0.285 1.105 -0.900
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1095 357TIP3 OH2 1093 0.263 1.094 -0.284
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1096 357TIP3 H1 1094 0.356 1.122 -0.297
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1097 357TIP3 H2 1095 0.257 1.109 -0.188
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1098 358TIP3 OH2 1096 0.291 1.194 -0.029
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1099 358TIP3 H1 1097 0.213 1.236 0.014
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1100 358TIP3 H2 1098 0.331 1.269 -0.076
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1101 359TIP3 OH2 1099 -1.251 1.026 0.332
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1102 359TIP3 H1 1100 -1.181 0.990 0.390
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1103 359TIP3 H2 1101 -1.328 1.025 0.391
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1104 360TIP3 OH2 1102 0.509 0.610 0.520
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1105 360TIP3 H1 1103 0.581 0.559 0.475
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1106 360TIP3 H2 1104 0.498 0.684 0.455
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1107 361TIP3 OH2 1105 0.290 0.804 -0.837
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1108 361TIP3 H1 1106 0.306 0.762 -0.751
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1109 361TIP3 H2 1107 0.221 0.745 -0.872
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1110 362TIP3 OH2 1108 -1.172 0.878 -0.424
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1111 362TIP3 H1 1109 -1.127 0.795 -0.398
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1112 362TIP3 H2 1110 -1.178 0.926 -0.340
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1113 363TIP3 OH2 1111 -1.294 1.087 -0.243
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1114 363TIP3 H1 1112 -1.237 1.143 -0.296
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1115 363TIP3 H2 1113 -1.371 1.143 -0.228
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1116 364TIP3 OH2 1114 0.440 0.801 0.337
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1117 364TIP3 H1 1115 0.358 0.844 0.370
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1118 364TIP3 H2 1116 0.405 0.755 0.258
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1119 365TIP3 OH2 1117 0.428 0.807 -1.181
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1120 365TIP3 H1 1118 0.486 0.809 -1.260
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1121 365TIP3 H2 1119 0.482 0.865 -1.124
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1122 366TIP3 OH2 1120 -1.286 0.811 -0.831
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1123 366TIP3 H1 1121 -1.382 0.818 -0.842
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1124 366TIP3 H2 1122 -1.255 0.882 -0.893
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1125 367TIP3 OH2 1123 0.333 0.638 0.139
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1126 367TIP3 H1 1124 0.296 0.711 0.086
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1127 367TIP3 H2 1125 0.278 0.566 0.099
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1128 368TIP3 OH2 1126 -0.285 0.757 -0.414
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1129 368TIP3 H1 1127 -0.342 0.679 -0.412
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1130 368TIP3 H2 1128 -0.206 0.722 -0.461
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1131 369TIP3 OH2 1129 0.192 0.582 -0.418
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1132 369TIP3 H1 1130 0.253 0.636 -0.472
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1133 369TIP3 H2 1131 0.105 0.622 -0.439
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1134 370TIP3 OH2 1132 0.365 0.684 -0.601
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1135 370TIP3 H1 1133 0.436 0.619 -0.619
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1136 370TIP3 H2 1134 0.420 0.765 -0.586
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1137 371TIP3 OH2 1135 -1.204 0.621 -1.024
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1138 371TIP3 H1 1136 -1.131 0.666 -1.073
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1139 371TIP3 H2 1137 -1.218 0.684 -0.951
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1140 372TIP3 OH2 1138 -0.640 0.637 -0.663
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1141 372TIP3 H1 1139 -0.554 0.668 -0.698
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1142 372TIP3 H2 1140 -0.615 0.617 -0.570
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1143 373TIP3 OH2 1141 -0.070 0.631 -0.526
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1144 373TIP3 H1 1142 -0.044 0.607 -0.617
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1145 373TIP3 H2 1143 -0.107 0.545 -0.495
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1146 374TIP3 OH2 1144 0.088 0.638 -0.920
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1147 374TIP3 H1 1145 0.005 0.689 -0.912
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1148 374TIP3 H2 1146 0.053 0.549 -0.900
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1149 375TIP3 OH2 1147 -1.000 0.747 -1.151
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1150 375TIP3 H1 1148 -0.976 0.740 -1.245
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1151 375TIP3 H2 1149 -0.922 0.794 -1.115
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1152 376TIP3 OH2 1150 -0.506 0.850 -0.978
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1153 376TIP3 H1 1151 -0.473 0.783 -0.915
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1154 376TIP3 H2 1152 -0.490 0.932 -0.925
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1155 377TIP3 OH2 1153 -1.062 0.674 0.284
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1156 377TIP3 H1 1154 -1.114 0.601 0.324
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1157 377TIP3 H2 1155 -0.977 0.658 0.331
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1158 378TIP3 OH2 1156 -0.870 0.603 0.463
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1159 378TIP3 H1 1157 -0.780 0.586 0.428
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1160 378TIP3 H2 1158 -0.890 0.518 0.507
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1161 379TIP3 OH2 1159 -0.008 0.561 0.454
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1162 379TIP3 H1 1160 -0.027 0.512 0.538
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1163 379TIP3 H2 1161 0.087 0.541 0.443
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1164 380TIP3 OH2 1162 0.623 1.293 -0.810
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1165 380TIP3 H1 1163 0.607 1.385 -0.840
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1166 380TIP3 H2 1164 0.558 1.245 -0.865
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1167 381TIP3 OH2 1165 1.073 0.929 -0.520
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1168 381TIP3 H1 1166 1.162 0.955 -0.550
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1169 381TIP3 H2 1167 1.029 0.902 -0.602
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1170 382TIP3 OH2 1168 0.750 1.205 -0.419
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1171 382TIP3 H1 1169 0.805 1.138 -0.373
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1172 382TIP3 H2 1170 0.759 1.173 -0.511
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1173 383TIP3 OH2 1171 0.981 0.856 -0.095
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1174 383TIP3 H1 1172 0.949 0.919 -0.162
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1175 383TIP3 H2 1173 0.907 0.860 -0.030
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1176 384TIP3 OH2 1174 0.918 1.013 -0.313
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1177 384TIP3 H1 1175 0.979 1.075 -0.267
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1178 384TIP3 H2 1176 0.978 0.981 -0.386
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1179 385TIP3 OH2 1177 1.058 0.655 -0.268
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1180 385TIP3 H1 1178 0.976 0.657 -0.322
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1181 385TIP3 H2 1179 1.044 0.734 -0.212
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1182 386TIP3 OH2 1180 1.069 1.179 -0.163
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1183 386TIP3 H1 1181 1.011 1.175 -0.084
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1184 386TIP3 H2 1182 1.073 1.276 -0.178
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1185 387TIP3 OH2 1183 1.071 1.190 -0.697
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1186 387TIP3 H1 1184 0.992 1.139 -0.673
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1187 387TIP3 H2 1185 1.101 1.145 -0.777
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1188 388TIP3 OH2 1186 0.887 1.147 0.041
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1189 388TIP3 H1 1187 0.882 1.173 0.133
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1190 388TIP3 H2 1188 0.843 1.059 0.044
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1191 389TIP3 OH2 1189 1.201 0.937 -1.274
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1192 389TIP3 H1 1190 1.130 0.958 -1.211
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1193 389TIP3 H2 1191 1.175 0.996 -1.348
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1194 390TIP3 OH2 1192 0.545 0.883 -0.590
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1195 390TIP3 H1 1193 0.599 0.891 -0.508
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1196 390TIP3 H2 1194 0.610 0.858 -0.658
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1197 391TIP3 OH2 1195 0.612 0.986 -1.051
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1198 391TIP3 H1 1196 0.681 1.036 -1.097
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1199 391TIP3 H2 1197 0.549 1.058 -1.029
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1200 392TIP3 OH2 1198 0.808 1.105 -0.676
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1201 392TIP3 H1 1199 0.739 1.137 -0.738
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1202 392TIP3 H2 1200 0.825 1.014 -0.708
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1203 393TIP3 OH2 1201 1.201 1.095 -0.958
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1204 393TIP3 H1 1202 1.258 1.160 -0.912
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1205 393TIP3 H2 1203 1.158 1.150 -1.029
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1206 394TIP3 OH2 1204 1.067 1.183 -1.170
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1207 394TIP3 H1 1205 0.970 1.173 -1.177
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1208 394TIP3 H2 1206 1.094 1.189 -1.263
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1209 395TIP3 OH2 1207 0.915 0.855 -0.744
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1210 395TIP3 H1 1208 0.876 0.770 -0.716
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1211 395TIP3 H2 1209 0.948 0.833 -0.833
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1212 396TIP3 OH2 1210 0.764 0.899 0.067
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1213 396TIP3 H1 1211 0.672 0.930 0.054
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1214 396TIP3 H2 1212 0.755 0.836 0.140
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1215 397TIP3 OH2 1213 1.096 0.854 -1.037
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1216 397TIP3 H1 1214 1.115 0.943 -0.999
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1217 397TIP3 H2 1215 1.175 0.841 -1.091
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1218 398TIP3 OH2 1216 0.788 1.174 -1.192
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1219 398TIP3 H1 1217 0.749 1.258 -1.156
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1220 398TIP3 H2 1218 0.765 1.181 -1.285
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1221 399TIP3 OH2 1219 0.811 0.637 -0.392
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1222 399TIP3 H1 1220 0.816 0.624 -0.489
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1223 399TIP3 H2 1221 0.786 0.548 -0.361
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1224 400TIP3 OH2 1222 1.137 1.304 0.178
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1225 400TIP3 H1 1223 1.060 1.359 0.163
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1226 400TIP3 H2 1224 1.200 1.347 0.116
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1227 401TIP3 OH2 1225 1.126 1.038 0.246
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1228 401TIP3 H1 1226 1.170 0.981 0.180
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1229 401TIP3 H2 1227 1.143 1.127 0.208
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1230 402TIP3 OH2 1228 1.232 0.875 0.019
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1231 402TIP3 H1 1229 1.280 0.930 -0.044
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1232 402TIP3 H2 1230 1.143 0.871 -0.022
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1233 403TIP3 OH2 1231 0.981 1.130 0.455
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1234 403TIP3 H1 1232 0.913 1.060 0.463
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1235 403TIP3 H2 1233 1.031 1.099 0.377
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1236 404TIP3 OH2 1234 1.311 0.606 0.070
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1237 404TIP3 H1 1235 1.292 0.702 0.059
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1238 404TIP3 H2 1236 1.231 0.568 0.028
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1239 405TIP3 OH2 1237 0.805 0.910 0.449
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1240 405TIP3 H1 1238 0.812 0.832 0.391
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1241 405TIP3 H2 1239 0.824 0.870 0.536
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1242 406TIP3 OH2 1240 1.278 0.555 0.343
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1243 406TIP3 H1 1241 1.363 0.515 0.368
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1244 406TIP3 H2 1242 1.292 0.571 0.248
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1245 407TIP3 OH2 1243 0.594 1.025 0.313
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1246 407TIP3 H1 1244 0.675 0.998 0.362
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1247 407TIP3 H2 1245 0.541 0.943 0.323
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1248 408TIP3 OH2 1246 0.682 0.874 -0.350
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1249 408TIP3 H1 1247 0.725 0.785 -0.358
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1250 408TIP3 H2 1248 0.761 0.929 -0.331
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1251 409TIP3 OH2 1249 0.512 1.207 -0.269
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1252 409TIP3 H1 1250 0.597 1.204 -0.316
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1253 409TIP3 H2 1251 0.527 1.283 -0.209
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1254 410TIP3 OH2 1252 0.571 0.784 -0.875
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1255 410TIP3 H1 1253 0.475 0.796 -0.863
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1256 410TIP3 H2 1254 0.594 0.860 -0.931
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1257 411TIP3 OH2 1255 0.556 0.613 -0.035
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1258 411TIP3 H1 1256 0.487 0.613 0.034
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1259 411TIP3 H2 1257 0.534 0.696 -0.083
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1260 412TIP3 OH2 1258 0.813 0.602 -0.667
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1261 412TIP3 H1 1259 0.719 0.578 -0.681
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1262 412TIP3 H2 1260 0.854 0.514 -0.679
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1263 413TIP3 OH2 1261 0.671 0.588 -1.051
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1264 413TIP3 H1 1262 0.738 0.645 -1.095
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1265 413TIP3 H2 1263 0.635 0.651 -0.985
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1266 414TIP3 OH2 1264 1.237 0.597 -0.648
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1267 414TIP3 H1 1265 1.323 0.638 -0.665
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1268 414TIP3 H2 1266 1.216 0.629 -0.559
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1269 415TIP3 OH2 1267 0.867 0.732 -1.172
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1270 415TIP3 H1 1268 0.893 0.717 -1.264
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1271 415TIP3 H2 1269 0.944 0.777 -1.133
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1272 416TIP3 OH2 1270 0.811 0.677 0.281
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1273 416TIP3 H1 1271 0.756 0.601 0.310
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1274 416TIP3 H2 1272 0.895 0.654 0.328
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1275 417TIP3 OH2 1273 1.021 0.599 0.454
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1276 417TIP3 H1 1274 1.111 0.594 0.415
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1277 417TIP3 H2 1275 1.014 0.509 0.490
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1278 418TIP3 OH2 1276 -0.113 -0.324 1.199
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1279 418TIP3 H1 1277 -0.135 -0.229 1.183
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1280 418TIP3 H2 1278 -0.183 -0.365 1.144
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1281 419TIP3 OH2 1279 -1.311 -0.687 1.125
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1282 419TIP3 H1 1280 -1.256 -0.614 1.163
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1283 419TIP3 H2 1281 -1.389 -0.679 1.183
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1284 420TIP3 OH2 1282 -1.196 -0.479 1.247
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1285 420TIP3 H1 1283 -1.193 -0.457 1.343
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1286 420TIP3 H2 1284 -1.230 -0.398 1.209
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1287 421TIP3 OH2 1285 -0.004 -0.929 1.189
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1288 421TIP3 H1 1286 0.010 -0.946 1.283
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1289 421TIP3 H2 1287 0.078 -0.882 1.168
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1290 422TIP3 OH2 1288 -0.164 -0.079 1.083
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1291 422TIP3 H1 1289 -0.186 -0.079 0.987
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1292 422TIP3 H2 1290 -0.214 0.001 1.110
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1293 423TIP3 OH2 1291 -1.183 -0.081 0.969
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1294 423TIP3 H1 1292 -1.206 -0.044 0.883
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1295 423TIP3 H2 1293 -1.170 -0.001 1.024
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1296 424TIP3 OH2 1294 -0.031 0.263 1.197
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1297 424TIP3 H1 1295 0.010 0.174 1.206
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1298 424TIP3 H2 1296 0.029 0.314 1.254
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1299 425TIP3 OH2 1297 0.071 0.013 1.211
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1300 425TIP3 H1 1298 -0.006 -0.031 1.169
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1301 425TIP3 H2 1299 0.086 -0.042 1.290
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1302 426TIP3 OH2 1300 -0.276 -0.423 1.002
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1303 426TIP3 H1 1301 -0.345 -0.358 0.975
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1304 426TIP3 H2 1302 -0.218 -0.424 0.924
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1305 427TIP3 OH2 1303 -0.280 -0.550 0.653
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1306 427TIP3 H1 1304 -0.218 -0.525 0.724
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1307 427TIP3 H2 1305 -0.222 -0.608 0.599
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1308 428TIP3 OH2 1306 0.090 -0.403 1.035
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1309 428TIP3 H1 1307 0.024 -0.373 1.102
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1310 428TIP3 H2 1308 0.160 -0.440 1.092
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1311 429TIP3 OH2 1309 -0.763 -0.382 1.227
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1312 429TIP3 H1 1310 -0.803 -0.394 1.139
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1313 429TIP3 H2 1311 -0.749 -0.474 1.252
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1314 430TIP3 OH2 1312 -0.064 -0.472 0.817
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1315 430TIP3 H1 1313 -0.002 -0.435 0.884
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1316 430TIP3 H2 1314 -0.015 -0.453 0.734
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1317 431TIP3 OH2 1315 -0.276 0.166 1.132
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1318 431TIP3 H1 1316 -0.189 0.207 1.147
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1319 431TIP3 H2 1317 -0.325 0.245 1.100
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1320 432TIP3 OH2 1318 0.349 -1.285 0.883
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1321 432TIP3 H1 1319 0.259 -1.259 0.913
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1322 432TIP3 H2 1320 0.368 -1.217 0.815
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1323 433TIP3 OH2 1321 -0.862 -0.444 0.979
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1324 433TIP3 H1 1322 -0.926 -0.382 0.937
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1325 433TIP3 H2 1323 -0.909 -0.528 0.971
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1326 434TIP3 OH2 1324 0.433 0.118 0.683
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1327 434TIP3 H1 1325 0.451 0.215 0.680
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1328 434TIP3 H2 1326 0.524 0.082 0.675
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1329 435TIP3 OH2 1327 -0.327 0.430 1.054
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1330 435TIP3 H1 1328 -0.345 0.438 0.958
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1331 435TIP3 H2 1329 -0.341 0.522 1.082
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1332 436TIP3 OH2 1330 -0.996 0.376 1.220
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1333 436TIP3 H1 1331 -0.994 0.356 1.317
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1334 436TIP3 H2 1332 -1.044 0.299 1.186
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1335 437TIP3 OH2 1333 -0.034 0.434 0.691
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1336 437TIP3 H1 1334 0.015 0.353 0.666
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1337 437TIP3 H2 1335 -0.048 0.419 0.786
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1338 438TIP3 OH2 1336 -0.064 0.403 0.965
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1339 438TIP3 H1 1337 -0.159 0.413 0.985
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1340 438TIP3 H2 1338 -0.038 0.345 1.041
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1341 439TIP3 OH2 1339 0.064 -0.452 0.572
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1342 439TIP3 H1 1340 0.061 -0.427 0.478
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1343 439TIP3 H2 1341 0.153 -0.418 0.596
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1344 440TIP3 OH2 1342 -0.367 -1.035 0.701
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1345 440TIP3 H1 1343 -0.428 -1.051 0.775
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1346 440TIP3 H2 1344 -0.409 -1.087 0.630
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1347 441TIP3 OH2 1345 -0.765 -0.707 1.245
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1348 441TIP3 H1 1346 -0.862 -0.724 1.243
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1349 441TIP3 H2 1347 -0.746 -0.725 1.150
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1350 442TIP3 OH2 1348 -0.262 -0.684 1.095
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1351 442TIP3 H1 1349 -0.276 -0.590 1.071
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1352 442TIP3 H2 1350 -0.186 -0.707 1.039
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1353 443TIP3 OH2 1351 -0.666 -0.960 0.575
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1354 443TIP3 H1 1352 -0.702 -0.980 0.664
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1355 443TIP3 H2 1353 -0.729 -0.891 0.546
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1356 444TIP3 OH2 1354 -1.272 -1.040 1.227
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1357 444TIP3 H1 1355 -1.289 -0.955 1.272
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1358 444TIP3 H2 1356 -1.176 -1.049 1.236
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1359 445TIP3 OH2 1357 -1.203 -0.888 0.873
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1360 445TIP3 H1 1358 -1.155 -0.861 0.792
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1361 445TIP3 H2 1359 -1.270 -0.818 0.873
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1362 446TIP3 OH2 1360 -1.029 -0.791 1.197
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1363 446TIP3 H1 1361 -1.097 -0.783 1.128
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1364 446TIP3 H2 1362 -1.000 -0.883 1.187
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1365 447TIP3 OH2 1363 -0.726 -0.780 0.980
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1366 447TIP3 H1 1364 -0.630 -0.794 0.987
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1367 447TIP3 H2 1365 -0.735 -0.741 0.890
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1368 448TIP3 OH2 1366 -0.754 -0.687 0.727
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1369 448TIP3 H1 1367 -0.804 -0.710 0.646
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1370 448TIP3 H2 1368 -0.682 -0.632 0.688
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1371 449TIP3 OH2 1369 -0.951 -1.062 1.209
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1372 449TIP3 H1 1370 -0.988 -1.150 1.182
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1373 449TIP3 H2 1371 -0.860 -1.071 1.176
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1374 450TIP3 OH2 1372 -0.465 -0.234 0.928
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1375 450TIP3 H1 1373 -0.543 -0.262 0.876
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1376 450TIP3 H2 1374 -0.508 -0.208 1.013
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1377 451TIP3 OH2 1375 -0.115 -0.946 0.753
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1378 451TIP3 H1 1376 -0.212 -0.956 0.738
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1379 451TIP3 H2 1377 -0.107 -0.860 0.799
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1380 452TIP3 OH2 1378 -0.045 -0.731 0.917
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1381 452TIP3 H1 1379 0.045 -0.744 0.952
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1382 452TIP3 H2 1380 -0.040 -0.641 0.879
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1383 453TIP3 OH2 1381 -0.290 -0.046 0.830
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1384 453TIP3 H1 1382 -0.338 0.038 0.840
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1385 453TIP3 H2 1383 -0.359 -0.112 0.856
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1386 454TIP3 OH2 1384 0.427 -0.689 0.879
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1387 454TIP3 H1 1385 0.384 -0.708 0.792
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1388 454TIP3 H2 1386 0.451 -0.595 0.860
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1389 455TIP3 OH2 1387 0.319 0.153 0.938
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1390 455TIP3 H1 1388 0.252 0.086 0.957
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1391 455TIP3 H2 1389 0.346 0.129 0.847
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1392 456TIP3 OH2 1390 -0.746 0.059 1.191
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1393 456TIP3 H1 1391 -0.715 0.151 1.200
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1394 456TIP3 H2 1392 -0.827 0.073 1.140
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1395 457TIP3 OH2 1393 -1.183 -0.450 0.709
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1396 457TIP3 H1 1394 -1.122 -0.392 0.759
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1397 457TIP3 H2 1395 -1.269 -0.411 0.733
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1398 458TIP3 OH2 1396 -0.596 -0.162 1.158
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1399 458TIP3 H1 1397 -0.658 -0.087 1.165
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1400 458TIP3 H2 1398 -0.652 -0.237 1.189
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1401 459TIP3 OH2 1399 -0.720 0.333 1.171
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1402 459TIP3 H1 1400 -0.812 0.364 1.186
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1403 459TIP3 H2 1401 -0.702 0.363 1.081
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1404 460TIP3 OH2 1402 0.062 -0.030 0.692
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1405 460TIP3 H1 1403 0.083 -0.085 0.772
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1406 460TIP3 H2 1404 -0.033 -0.045 0.680
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1407 461TIP3 OH2 1405 0.484 0.388 0.702
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1408 461TIP3 H1 1406 0.510 0.461 0.643
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1409 461TIP3 H2 1407 0.414 0.434 0.753
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1410 462TIP3 OH2 1408 0.164 -0.174 0.899
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1411 462TIP3 H1 1409 0.130 -0.247 0.953
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1412 462TIP3 H2 1410 0.260 -0.185 0.914
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1413 463TIP3 OH2 1411 -0.726 0.034 0.859
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1414 463TIP3 H1 1412 -0.651 0.010 0.914
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1415 463TIP3 H2 1413 -0.684 0.107 0.808
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1416 464TIP3 OH2 1414 -1.031 -0.273 0.852
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1417 464TIP3 H1 1415 -1.088 -0.217 0.910
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1418 464TIP3 H2 1416 -0.985 -0.201 0.804
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1419 465TIP3 OH2 1417 -0.126 -1.076 0.999
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1420 465TIP3 H1 1418 -0.116 -1.031 0.913
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1421 465TIP3 H2 1419 -0.089 -1.010 1.061
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1422 466TIP3 OH2 1420 -0.473 -0.856 1.091
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1423 466TIP3 H1 1421 -0.396 -0.795 1.094
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1424 466TIP3 H2 1422 -0.494 -0.867 1.185
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1425 467TIP3 OH2 1423 -0.331 -1.172 1.148
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1426 467TIP3 H1 1424 -0.331 -1.099 1.211
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1427 467TIP3 H2 1425 -0.263 -1.141 1.084
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1428 468TIP3 OH2 1426 -0.780 -1.015 0.817
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1429 468TIP3 H1 1427 -0.797 -0.940 0.877
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1430 468TIP3 H2 1428 -0.695 -1.047 0.854
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1431 469TIP3 OH2 1429 -0.941 -0.045 0.717
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1432 469TIP3 H1 1430 -0.870 -0.004 0.772
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1433 469TIP3 H2 1431 -0.885 -0.098 0.656
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1434 470TIP3 OH2 1432 -1.147 -0.724 0.666
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1435 470TIP3 H1 1433 -1.158 -0.628 0.683
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1436 470TIP3 H2 1434 -1.172 -0.733 0.573
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1437 471TIP3 OH2 1435 -1.157 0.166 1.113
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1438 471TIP3 H1 1436 -1.240 0.170 1.163
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1439 471TIP3 H2 1437 -1.169 0.231 1.040
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1440 472TIP3 OH2 1438 -0.350 0.216 0.503
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1441 472TIP3 H1 1439 -0.414 0.222 0.577
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1442 472TIP3 H2 1440 -0.311 0.129 0.518
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1443 473TIP3 OH2 1441 0.108 0.221 0.599
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1444 473TIP3 H1 1442 0.101 0.133 0.641
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1445 473TIP3 H2 1443 0.191 0.215 0.550
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1446 474TIP3 OH2 1444 -0.795 -0.222 0.572
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1447 474TIP3 H1 1445 -0.758 -0.266 0.651
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1448 474TIP3 H2 1446 -0.711 -0.210 0.521
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1449 475TIP3 OH2 1447 -0.202 -0.042 0.567
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1450 475TIP3 H1 1448 -0.243 -0.047 0.656
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1451 475TIP3 H2 1449 -0.218 -0.133 0.535
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1452 476TIP3 OH2 1450 -0.675 -0.346 0.794
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1453 476TIP3 H1 1451 -0.730 -0.397 0.857
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1454 476TIP3 H2 1452 -0.635 -0.416 0.738
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1455 477TIP3 OH2 1453 -0.554 -0.529 0.627
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1456 477TIP3 H1 1454 -0.554 -0.506 0.531
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1457 477TIP3 H2 1455 -0.458 -0.540 0.642
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1458 478TIP3 OH2 1456 0.319 -0.352 0.585
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1459 478TIP3 H1 1457 0.334 -0.366 0.490
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1460 478TIP3 H2 1458 0.313 -0.253 0.585
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1461 479TIP3 OH2 1459 -1.210 -0.033 0.688
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1462 479TIP3 H1 1460 -1.113 -0.022 0.701
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1463 479TIP3 H2 1461 -1.208 -0.106 0.623
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1464 480TIP3 OH2 1462 0.424 -0.231 0.961
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1465 480TIP3 H1 1463 0.500 -0.170 0.972
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1466 480TIP3 H2 1464 0.434 -0.291 1.038
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1467 481TIP3 OH2 1465 0.447 -0.427 1.147
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1468 481TIP3 H1 1466 0.380 -0.479 1.195
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1469 481TIP3 H2 1467 0.526 -0.436 1.204
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1470 482TIP3 OH2 1468 0.485 -0.436 0.787
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1471 482TIP3 H1 1469 0.427 -0.414 0.711
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1472 482TIP3 H2 1470 0.462 -0.363 0.848
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1473 483TIP3 OH2 1471 0.318 -0.728 0.632
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1474 483TIP3 H1 1472 0.303 -0.677 0.551
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1475 483TIP3 H2 1473 0.285 -0.815 0.603
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1476 484TIP3 OH2 1474 0.235 -0.573 1.244
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1477 484TIP3 H1 1475 0.209 -0.646 1.183
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1478 484TIP3 H2 1476 0.153 -0.552 1.292
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1479 485TIP3 OH2 1477 0.226 -0.969 0.548
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1480 485TIP3 H1 1478 0.286 -1.031 0.596
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1481 485TIP3 H2 1479 0.144 -1.020 0.540
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1482 486TIP3 OH2 1480 0.215 -0.773 1.044
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1483 486TIP3 H1 1481 0.244 -0.867 1.050
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1484 486TIP3 H2 1482 0.288 -0.737 0.989
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1485 487TIP3 OH2 1483 0.283 -1.039 1.074
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1486 487TIP3 H1 1484 0.313 -1.079 1.159
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1487 487TIP3 H2 1485 0.216 -1.104 1.047
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1488 488TIP3 OH2 1486 0.426 -1.102 0.695
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1489 488TIP3 H1 1487 0.489 -1.149 0.636
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1490 488TIP3 H2 1488 0.484 -1.033 0.733
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1491 489TIP3 OH2 1489 -1.335 -1.111 0.946
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1492 489TIP3 H1 1490 -1.329 -1.111 1.043
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1493 489TIP3 H2 1491 -1.276 -1.034 0.924
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1494 490TIP3 OH2 1492 0.213 0.398 1.278
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1495 490TIP3 H1 1493 0.264 0.390 1.195
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1496 490TIP3 H2 1494 0.225 0.492 1.297
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1497 491TIP3 OH2 1495 0.382 -1.181 1.290
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1498 491TIP3 H1 1496 0.382 -1.279 1.284
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1499 491TIP3 H2 1497 0.477 -1.159 1.283
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1500 492TIP3 OH2 1498 -1.066 -1.297 1.146
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1501 492TIP3 H1 1499 -1.155 -1.332 1.125
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1502 492TIP3 H2 1500 -1.020 -1.381 1.164
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1503 493TIP3 OH2 1501 -1.207 -1.269 0.759
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1504 493TIP3 H1 1502 -1.134 -1.207 0.739
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1505 493TIP3 H2 1503 -1.259 -1.219 0.825
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1506 494TIP3 OH2 1504 -0.605 -1.200 1.157
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1507 494TIP3 H1 1505 -0.507 -1.202 1.161
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1508 494TIP3 H2 1506 -0.626 -1.249 1.239
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1509 495TIP3 OH2 1507 0.097 -1.232 0.984
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1510 495TIP3 H1 1508 0.015 -1.179 0.997
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1511 495TIP3 H2 1509 0.057 -1.318 0.960
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1512 496TIP3 OH2 1510 -1.184 0.345 0.905
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1513 496TIP3 H1 1511 -1.276 0.320 0.879
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1514 496TIP3 H2 1512 -1.182 0.438 0.877
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1515 497TIP3 OH2 1513 -0.985 -1.122 0.666
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1516 497TIP3 H1 1514 -0.937 -1.193 0.620
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1517 497TIP3 H2 1515 -0.916 -1.087 0.727
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1518 498TIP3 OH2 1516 -0.534 -1.065 0.923
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1519 498TIP3 H1 1517 -0.560 -1.128 0.994
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1520 498TIP3 H2 1518 -0.502 -0.990 0.978
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1521 499TIP3 OH2 1519 -0.336 0.477 0.790
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1522 499TIP3 H1 1520 -0.278 0.464 0.714
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1523 499TIP3 H2 1521 -0.409 0.414 0.769
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1524 500TIP3 OH2 1522 0.376 0.391 1.053
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1525 500TIP3 H1 1523 0.354 0.303 1.013
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1526 500TIP3 H2 1524 0.358 0.449 0.976
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1527 501TIP3 OH2 1525 -0.973 0.384 0.610
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1528 501TIP3 H1 1526 -1.007 0.378 0.701
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1529 501TIP3 H2 1527 -0.896 0.324 0.615
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1530 502TIP3 OH2 1528 0.629 -0.702 1.098
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1531 502TIP3 H1 1529 0.615 -0.617 1.141
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1532 502TIP3 H2 1530 0.559 -0.702 1.030
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1533 503TIP3 OH2 1531 0.683 -0.460 1.279
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1534 503TIP3 H1 1532 0.697 -0.472 1.375
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1535 503TIP3 H2 1533 0.758 -0.404 1.257
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1536 504TIP3 OH2 1534 0.653 -0.071 0.943
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1537 504TIP3 H1 1535 0.647 -0.033 0.853
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1538 504TIP3 H2 1536 0.680 0.007 0.995
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1539 505TIP3 OH2 1537 1.191 -0.421 1.176
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1540 505TIP3 H1 1538 1.130 -0.415 1.101
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1541 505TIP3 H2 1539 1.173 -0.512 1.204
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1542 506TIP3 OH2 1540 1.010 -0.436 0.971
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1543 506TIP3 H1 1541 0.954 -0.361 0.941
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1544 506TIP3 H2 1542 0.946 -0.508 0.964
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1545 507TIP3 OH2 1543 0.896 0.352 1.214
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1546 507TIP3 H1 1544 0.887 0.345 1.312
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1547 507TIP3 H2 1545 0.835 0.283 1.183
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1548 508TIP3 OH2 1546 1.111 -0.694 1.191
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1549 508TIP3 H1 1547 1.018 -0.716 1.210
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1550 508TIP3 H2 1548 1.123 -0.737 1.104
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1551 509TIP3 OH2 1549 1.258 -0.930 0.536
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1552 509TIP3 H1 1550 1.236 -0.975 0.619
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1553 509TIP3 H2 1551 1.177 -0.880 0.519
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1554 510TIP3 OH2 1552 0.618 -1.048 1.284
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1555 510TIP3 H1 1553 0.664 -0.971 1.316
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1556 510TIP3 H2 1554 0.640 -1.051 1.189
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1557 511TIP3 OH2 1555 0.584 -0.911 0.826
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1558 511TIP3 H1 1556 0.659 -0.862 0.785
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1559 511TIP3 H2 1557 0.527 -0.836 0.852
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1560 512TIP3 OH2 1558 0.854 -0.790 1.235
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1561 512TIP3 H1 1559 0.778 -0.769 1.176
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1562 512TIP3 H2 1560 0.877 -0.883 1.211
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1563 513TIP3 OH2 1561 1.198 -0.781 0.937
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1564 513TIP3 H1 1562 1.275 -0.739 0.980
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1565 513TIP3 H2 1563 1.177 -0.722 0.862
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1566 514TIP3 OH2 1564 1.077 -0.655 0.714
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1567 514TIP3 H1 1565 0.984 -0.680 0.726
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1568 514TIP3 H2 1566 1.089 -0.686 0.622
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1569 515TIP3 OH2 1567 0.949 -1.044 1.183
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1570 515TIP3 H1 1568 0.907 -1.132 1.201
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1571 515TIP3 H2 1569 1.012 -1.070 1.115
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1572 516TIP3 OH2 1570 1.123 0.029 1.132
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1573 516TIP3 H1 1571 1.178 0.091 1.183
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1574 516TIP3 H2 1572 1.065 0.089 1.084
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1575 517TIP3 OH2 1573 0.743 -0.472 0.705
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1576 517TIP3 H1 1574 0.785 -0.398 0.755
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1577 517TIP3 H2 1575 0.650 -0.461 0.734
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1578 518TIP3 OH2 1576 1.258 -0.167 1.261
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1579 518TIP3 H1 1577 1.205 -0.115 1.198
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1580 518TIP3 H2 1578 1.248 -0.258 1.224
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1581 519TIP3 OH2 1579 1.141 0.374 1.092
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1582 519TIP3 H1 1580 1.054 0.372 1.138
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1583 519TIP3 H2 1581 1.186 0.447 1.141
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1584 520TIP3 OH2 1582 1.308 0.111 0.525
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1585 520TIP3 H1 1583 1.273 0.033 0.480
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1586 520TIP3 H2 1584 1.350 0.071 0.604
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1587 521TIP3 OH2 1585 1.175 0.037 0.802
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1588 521TIP3 H1 1586 1.236 -0.010 0.859
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1589 521TIP3 H2 1587 1.203 0.130 0.816
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1590 522TIP3 OH2 1588 0.838 -0.260 0.862
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1591 522TIP3 H1 1589 0.770 -0.205 0.905
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1592 522TIP3 H2 1590 0.883 -0.190 0.809
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1593 523TIP3 OH2 1591 1.251 0.293 0.860
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1594 523TIP3 H1 1592 1.237 0.373 0.804
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1595 523TIP3 H2 1593 1.208 0.322 0.944
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1596 524TIP3 OH2 1594 1.145 -1.020 0.795
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1597 524TIP3 H1 1595 1.145 -0.938 0.849
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1598 524TIP3 H2 1596 1.216 -1.069 0.840
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1599 525TIP3 OH2 1597 0.944 -0.064 0.703
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1600 525TIP3 H1 1598 1.021 -0.014 0.740
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1601 525TIP3 H2 1599 0.991 -0.120 0.638
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1602 526TIP3 OH2 1600 0.764 -0.746 0.694
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1603 526TIP3 H1 1601 0.752 -0.648 0.694
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1604 526TIP3 H2 1602 0.756 -0.768 0.600
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1605 527TIP3 OH2 1603 0.710 0.168 1.087
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1606 527TIP3 H1 1604 0.620 0.190 1.112
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1607 527TIP3 H2 1605 0.723 0.231 1.013
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1608 528TIP3 OH2 1606 1.077 -0.242 0.546
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1609 528TIP3 H1 1607 1.118 -0.293 0.619
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1610 528TIP3 H2 1608 1.148 -0.252 0.478
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1611 529TIP3 OH2 1609 1.189 -0.402 0.752
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1612 529TIP3 H1 1610 1.141 -0.398 0.837
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1613 529TIP3 H2 1611 1.168 -0.495 0.727
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1614 530TIP3 OH2 1612 1.270 0.524 0.715
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1615 530TIP3 H1 1613 1.357 0.559 0.742
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1616 530TIP3 H2 1614 1.271 0.533 0.619
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1617 531TIP3 OH2 1615 0.680 -0.008 0.669
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1618 531TIP3 H1 1616 0.777 -0.021 0.680
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1619 531TIP3 H2 1617 0.662 -0.075 0.600
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1620 532TIP3 OH2 1618 0.567 0.476 1.230
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1621 532TIP3 H1 1619 0.510 0.432 1.163
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1622 532TIP3 H2 1620 0.545 0.429 1.313
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1623 533TIP3 OH2 1621 0.576 -1.111 1.007
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1624 533TIP3 H1 1622 0.479 -1.115 1.016
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1625 533TIP3 H2 1623 0.584 -1.033 0.948
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1626 534TIP3 OH2 1624 0.842 -1.289 1.212
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1627 534TIP3 H1 1625 0.750 -1.308 1.188
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1628 534TIP3 H2 1626 0.879 -1.379 1.204
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1629 535TIP3 OH2 1627 0.722 -1.265 0.825
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1630 535TIP3 H1 1628 0.782 -1.204 0.777
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1631 535TIP3 H2 1629 0.675 -1.204 0.885
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1632 536TIP3 OH2 1630 1.300 -1.276 1.270
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1633 536TIP3 H1 1631 1.350 -1.194 1.253
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1634 536TIP3 H2 1632 1.298 -1.278 1.367
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1635 537TIP3 OH2 1633 0.691 0.347 0.886
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1636 537TIP3 H1 1634 0.616 0.345 0.823
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1637 537TIP3 H2 1635 0.708 0.443 0.887
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1638 538TIP3 OH2 1636 0.911 -1.118 0.669
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1639 538TIP3 H1 1637 0.948 -1.181 0.604
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1640 538TIP3 H2 1638 0.990 -1.090 0.718
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1641 539TIP3 OH2 1639 0.847 0.369 0.595
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1642 539TIP3 H1 1640 0.837 0.375 0.691
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1643 539TIP3 H2 1641 0.940 0.339 0.586
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1644 540TIP3 OH2 1642 -1.280 1.214 1.141
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1645 540TIP3 H1 1643 -1.341 1.280 1.181
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1646 540TIP3 H2 1644 -1.316 1.130 1.174
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1647 541TIP3 OH2 1645 0.011 0.971 1.195
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1648 541TIP3 H1 1646 0.060 0.941 1.275
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1649 541TIP3 H2 1647 0.082 1.012 1.144
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1650 542TIP3 OH2 1648 -0.287 1.273 0.674
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1651 542TIP3 H1 1649 -0.245 1.310 0.752
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1652 542TIP3 H2 1650 -0.212 1.237 0.622
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1653 543TIP3 OH2 1651 0.311 0.553 0.833
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1654 543TIP3 H1 1652 0.219 0.571 0.862
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1655 543TIP3 H2 1653 0.336 0.641 0.799
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1656 544TIP3 OH2 1654 -0.355 0.873 0.689
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1657 544TIP3 H1 1655 -0.425 0.861 0.756
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1658 544TIP3 H2 1656 -0.391 0.817 0.616
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1659 545TIP3 OH2 1657 -0.736 1.132 1.247
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1660 545TIP3 H1 1658 -0.833 1.146 1.251
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1661 545TIP3 H2 1659 -0.726 1.123 1.150
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1662 546TIP3 OH2 1660 -0.256 1.230 1.070
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1663 546TIP3 H1 1661 -0.277 1.322 1.094
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1664 546TIP3 H2 1662 -0.169 1.237 1.027
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1665 547TIP3 OH2 1663 -0.671 0.930 0.576
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1666 547TIP3 H1 1664 -0.704 0.909 0.665
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1667 547TIP3 H2 1665 -0.735 0.998 0.549
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1668 548TIP3 OH2 1666 -1.285 0.938 1.238
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1669 548TIP3 H1 1667 -1.342 0.916 1.314
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1670 548TIP3 H2 1668 -1.197 0.929 1.277
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1671 549TIP3 OH2 1669 -1.222 0.977 0.818
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1672 549TIP3 H1 1670 -1.139 1.023 0.799
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1673 549TIP3 H2 1671 -1.275 1.017 0.749
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1674 550TIP3 OH2 1672 -1.018 1.131 1.211
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1675 550TIP3 H1 1673 -1.100 1.138 1.160
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1676 550TIP3 H2 1674 -0.996 1.035 1.200
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1677 551TIP3 OH2 1675 -0.714 1.100 0.975
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1678 551TIP3 H1 1676 -0.619 1.092 0.961
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1679 551TIP3 H2 1677 -0.742 1.146 0.892
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1680 552TIP3 OH2 1678 -0.768 1.192 0.727
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1681 552TIP3 H1 1679 -0.821 1.169 0.649
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1682 552TIP3 H2 1680 -0.691 1.237 0.687
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1683 553TIP3 OH2 1681 -0.945 0.869 1.196
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1684 553TIP3 H1 1682 -0.991 0.782 1.189
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1685 553TIP3 H2 1683 -0.856 0.844 1.171
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1686 554TIP3 OH2 1684 -0.124 0.953 0.789
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1687 554TIP3 H1 1685 -0.207 0.919 0.748
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1688 554TIP3 H2 1686 -0.146 1.046 0.797
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1689 555TIP3 OH2 1687 0.001 1.215 0.914
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1690 555TIP3 H1 1688 0.057 1.160 0.971
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1691 555TIP3 H2 1689 0.034 1.186 0.827
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1692 556TIP3 OH2 1690 0.424 1.161 0.876
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1693 556TIP3 H1 1691 0.389 1.146 0.785
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1694 556TIP3 H2 1692 0.411 1.259 0.879
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1695 557TIP3 OH2 1693 -0.126 0.807 1.021
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1696 557TIP3 H1 1694 -0.127 0.862 0.939
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1697 557TIP3 H2 1695 -0.088 0.869 1.087
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1698 558TIP3 OH2 1696 -0.437 1.026 1.092
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1699 558TIP3 H1 1697 -0.366 1.092 1.078
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1700 558TIP3 H2 1698 -0.472 1.054 1.177
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1701 559TIP3 OH2 1699 -0.365 0.708 1.104
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1702 559TIP3 H1 1700 -0.384 0.791 1.150
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1703 559TIP3 H2 1701 -0.275 0.728 1.071
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1704 560TIP3 OH2 1702 -0.780 0.866 0.823
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1705 560TIP3 H1 1703 -0.791 0.945 0.879
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1706 560TIP3 H2 1704 -0.692 0.837 0.855
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1707 561TIP3 OH2 1705 -1.135 1.187 0.664
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1708 561TIP3 H1 1706 -1.159 1.272 0.707
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1709 561TIP3 H2 1707 -1.178 1.196 0.578
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1710 562TIP3 OH2 1708 -0.558 1.303 0.604
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1711 562TIP3 H1 1709 -0.539 1.388 0.558
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1712 562TIP3 H2 1710 -0.468 1.281 0.635
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1713 563TIP3 OH2 1711 0.327 1.133 0.628
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1714 563TIP3 H1 1712 0.375 1.182 0.559
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1715 563TIP3 H2 1713 0.293 1.057 0.577
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1716 564TIP3 OH2 1714 0.269 1.262 1.225
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1717 564TIP3 H1 1715 0.265 1.190 1.160
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1718 564TIP3 H2 1716 0.181 1.301 1.217
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1719 565TIP3 OH2 1717 0.242 0.897 0.515
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1720 565TIP3 H1 1718 0.281 0.849 0.591
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1721 565TIP3 H2 1719 0.148 0.872 0.520
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1722 566TIP3 OH2 1720 0.216 1.065 1.031
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1723 566TIP3 H1 1721 0.234 0.968 1.032
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1724 566TIP3 H2 1722 0.290 1.092 0.972
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1725 567TIP3 OH2 1723 0.281 0.800 1.037
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1726 567TIP3 H1 1724 0.301 0.749 1.119
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1727 567TIP3 H2 1725 0.213 0.742 0.998
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1728 568TIP3 OH2 1726 0.406 0.783 0.709
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1729 568TIP3 H1 1727 0.458 0.721 0.654
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1730 568TIP3 H2 1728 0.473 0.850 0.732
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1731 569TIP3 OH2 1729 -1.297 0.789 0.996
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1732 569TIP3 H1 1730 -1.302 0.837 1.081
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1733 569TIP3 H2 1731 -1.272 0.864 0.936
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1734 570TIP3 OH2 1732 0.367 0.662 1.253
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1735 570TIP3 H1 1733 0.434 0.592 1.242
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1736 570TIP3 H2 1734 0.426 0.734 1.282
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1737 571TIP3 OH2 1735 -1.078 0.633 1.186
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1738 571TIP3 H1 1736 -1.122 0.617 1.102
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1739 571TIP3 H2 1737 -1.040 0.545 1.205
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1740 572TIP3 OH2 1738 -1.188 0.612 0.815
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1741 572TIP3 H1 1739 -1.118 0.663 0.768
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1742 572TIP3 H2 1740 -1.224 0.680 0.876
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1743 573TIP3 OH2 1741 -0.611 0.608 1.207
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1744 573TIP3 H1 1742 -0.521 0.629 1.177
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1745 573TIP3 H2 1743 -0.609 0.512 1.217
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1746 574TIP3 OH2 1744 0.079 0.634 0.952
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1747 574TIP3 H1 1745 0.001 0.691 0.971
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1748 574TIP3 H2 1746 0.035 0.546 0.958
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1749 575TIP3 OH2 1747 -0.983 0.745 0.678
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1750 575TIP3 H1 1748 -0.931 0.693 0.613
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1751 575TIP3 H2 1749 -0.911 0.783 0.734
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1752 576TIP3 OH2 1750 -0.522 0.839 0.909
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1753 576TIP3 H1 1751 -0.482 0.760 0.949
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1754 576TIP3 H2 1752 -0.492 0.907 0.973
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1755 577TIP3 OH2 1753 0.622 1.274 1.078
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1756 577TIP3 H1 1754 0.608 1.356 1.027
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1757 577TIP3 H2 1755 0.561 1.214 1.032
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1758 578TIP3 OH2 1756 1.110 1.110 1.235
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1759 578TIP3 H1 1757 1.015 1.126 1.218
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1760 578TIP3 H2 1758 1.143 1.103 1.143
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1761 579TIP3 OH2 1759 1.248 1.001 0.562
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1762 579TIP3 H1 1760 1.218 0.937 0.629
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1763 579TIP3 H2 1761 1.177 0.997 0.497
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1764 580TIP3 OH2 1762 0.584 0.830 1.291
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1765 580TIP3 H1 1763 0.674 0.850 1.319
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1766 580TIP3 H2 1764 0.595 0.819 1.195
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1767 581TIP3 OH2 1765 0.597 0.971 0.794
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1768 581TIP3 H1 1766 0.667 1.028 0.756
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1769 581TIP3 H2 1767 0.538 1.040 0.830
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1770 582TIP3 OH2 1768 0.836 1.132 1.195
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1771 582TIP3 H1 1769 0.757 1.159 1.145
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1772 582TIP3 H2 1770 0.842 1.036 1.175
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1773 583TIP3 OH2 1771 1.199 1.095 0.971
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1774 583TIP3 H1 1772 1.284 1.141 0.966
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1775 583TIP3 H2 1773 1.152 1.137 0.895
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1776 584TIP3 OH2 1774 1.084 1.181 0.747
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1777 584TIP3 H1 1775 0.991 1.193 0.721
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1778 584TIP3 H2 1776 1.124 1.146 0.666
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1779 585TIP3 OH2 1777 0.895 0.866 1.164
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1780 585TIP3 H1 1778 0.862 0.774 1.177
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1781 585TIP3 H2 1779 0.984 0.849 1.134
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1782 586TIP3 OH2 1780 1.144 0.861 0.791
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1783 586TIP3 H1 1781 1.149 0.935 0.854
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1784 586TIP3 H2 1782 1.194 0.793 0.838
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1785 587TIP3 OH2 1783 0.748 1.190 0.704
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1786 587TIP3 H1 1784 0.740 1.273 0.755
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1787 587TIP3 H2 1785 0.725 1.220 0.616
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1788 588TIP3 OH2 1786 0.570 0.804 1.012
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1789 588TIP3 H1 1787 0.473 0.797 1.010
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1790 588TIP3 H2 1788 0.587 0.864 0.937
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1791 589TIP3 OH2 1789 0.812 0.616 1.222
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1792 589TIP3 H1 1790 0.719 0.585 1.215
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1793 589TIP3 H2 1791 0.858 0.530 1.213
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1794 590TIP3 OH2 1792 0.724 0.617 0.837
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1795 590TIP3 H1 1793 0.780 0.674 0.780
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1796 590TIP3 H2 1794 0.684 0.682 0.899
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1797 591TIP3 OH2 1795 1.267 0.567 1.239
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1798 591TIP3 H1 1796 1.345 0.614 1.208
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1799 591TIP3 H2 1797 1.290 0.542 1.330
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1800 592TIP3 OH2 1798 0.907 0.762 0.664
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1801 592TIP3 H1 1799 0.949 0.699 0.603
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1802 592TIP3 H2 1800 0.984 0.795 0.714
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1803 1SOD SOD 1801 -0.803 0.535 -0.778
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1804 1CLA CLA 1802 -0.538 0.247 0.749
f4a1e92ca3d2 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
chemteam
parents:
diff changeset
1805 0.00000 0.00000 0.00000