Mercurial > repos > bgruening > split_file_to_collection
annotate test-data/mol_1.sdf @ 4:0850f2dfba13 draft
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
author | bgruening |
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date | Wed, 09 Oct 2019 07:34:49 -0400 |
parents | d150ac3d853d |
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rev | line source |
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4
0850f2dfba13
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
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1 2244 |
0850f2dfba13
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
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2
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2 OpenBabel09021316243D |
0850f2dfba13
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
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3 |
0850f2dfba13
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents:
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4 21 21 0 0 0 0 0 0 0 0999 V2000 |
0850f2dfba13
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents:
2
diff
changeset
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5 1.2333 0.5540 0.7792 O 0 0 0 0 0 0 0 0 0 0 0 0 |
0850f2dfba13
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents:
2
diff
changeset
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6 -0.6952 -2.7148 -0.7502 O 0 0 0 0 0 0 0 0 0 0 0 0 |
0850f2dfba13
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents:
2
diff
changeset
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7 0.7958 -2.1843 0.8685 O 0 0 0 0 0 0 0 0 0 0 0 0 |
0850f2dfba13
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents:
2
diff
changeset
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8 1.7813 0.8105 -1.4821 O 0 0 0 0 0 0 0 0 0 0 0 0 |
0850f2dfba13
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents:
2
diff
changeset
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9 -0.0857 0.6088 0.4403 C 0 0 0 0 0 0 0 0 0 0 0 0 |
0850f2dfba13
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents:
2
diff
changeset
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10 -0.7927 -0.5515 0.1244 C 0 0 0 0 0 0 0 0 0 0 0 0 |
0850f2dfba13
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents:
2
diff
changeset
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11 -0.7288 1.8464 0.4133 C 0 0 0 0 0 0 0 0 0 0 0 0 |
0850f2dfba13
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents:
2
diff
changeset
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12 -2.1426 -0.4741 -0.2184 C 0 0 0 0 0 0 0 0 0 0 0 0 |
0850f2dfba13
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents:
2
diff
changeset
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13 -2.0787 1.9238 0.0706 C 0 0 0 0 0 0 0 0 0 0 0 0 |
0850f2dfba13
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents:
2
diff
changeset
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14 -2.7855 0.7636 -0.2453 C 0 0 0 0 0 0 0 0 0 0 0 0 |
0850f2dfba13
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents:
2
diff
changeset
|
15 -0.1409 -1.8536 0.1477 C 0 0 0 0 0 0 0 0 0 0 0 0 |
0850f2dfba13
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents:
2
diff
changeset
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16 2.1094 0.6715 -0.3113 C 0 0 0 0 0 0 0 0 0 0 0 0 |
0850f2dfba13
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents:
2
diff
changeset
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17 3.5305 0.5996 0.1635 C 0 0 0 0 0 0 0 0 0 0 0 0 |
0850f2dfba13
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents:
2
diff
changeset
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18 -0.1851 2.7545 0.6593 H 0 0 0 0 0 0 0 0 0 0 0 0 |
0850f2dfba13
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents:
2
diff
changeset
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19 -2.7247 -1.3605 -0.4564 H 0 0 0 0 0 0 0 0 0 0 0 0 |
0850f2dfba13
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents:
2
diff
changeset
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20 -2.5797 2.8872 0.0506 H 0 0 0 0 0 0 0 0 0 0 0 0 |
0850f2dfba13
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents:
2
diff
changeset
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21 -3.8374 0.8238 -0.5090 H 0 0 0 0 0 0 0 0 0 0 0 0 |
0850f2dfba13
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents:
2
diff
changeset
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22 3.7290 1.4184 0.8593 H 0 0 0 0 0 0 0 0 0 0 0 0 |
0850f2dfba13
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents:
2
diff
changeset
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23 4.2045 0.6969 -0.6924 H 0 0 0 0 0 0 0 0 0 0 0 0 |
0850f2dfba13
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents:
2
diff
changeset
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24 3.7105 -0.3659 0.6426 H 0 0 0 0 0 0 0 0 0 0 0 0 |
0850f2dfba13
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents:
2
diff
changeset
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25 -0.2555 -3.5916 -0.7337 H 0 0 0 0 0 0 0 0 0 0 0 0 |
0850f2dfba13
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents:
2
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26 1 5 1 0 0 0 0 |
0850f2dfba13
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents:
2
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27 1 12 1 0 0 0 0 |
0850f2dfba13
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents:
2
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28 2 11 1 0 0 0 0 |
0850f2dfba13
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents:
2
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29 2 21 1 0 0 0 0 |
0850f2dfba13
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents:
2
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30 3 11 2 0 0 0 0 |
0850f2dfba13
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents:
2
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31 4 12 2 0 0 0 0 |
0850f2dfba13
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents:
2
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32 5 6 1 0 0 0 0 |
0850f2dfba13
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents:
2
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33 5 7 2 0 0 0 0 |
0850f2dfba13
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents:
2
diff
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34 6 8 2 0 0 0 0 |
0850f2dfba13
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents:
2
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35 6 11 1 0 0 0 0 |
0850f2dfba13
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents:
2
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36 7 9 1 0 0 0 0 |
0850f2dfba13
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents:
2
diff
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37 7 14 1 0 0 0 0 |
0850f2dfba13
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents:
2
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38 8 10 1 0 0 0 0 |
0850f2dfba13
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents:
2
diff
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39 8 15 1 0 0 0 0 |
0850f2dfba13
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents:
2
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40 9 10 2 0 0 0 0 |
0850f2dfba13
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents:
2
diff
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41 9 16 1 0 0 0 0 |
0850f2dfba13
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents:
2
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42 10 17 1 0 0 0 0 |
0850f2dfba13
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents:
2
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43 12 13 1 0 0 0 0 |
0850f2dfba13
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents:
2
diff
changeset
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44 13 18 1 0 0 0 0 |
0850f2dfba13
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents:
2
diff
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45 13 19 1 0 0 0 0 |
0850f2dfba13
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents:
2
diff
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46 13 20 1 0 0 0 0 |
0850f2dfba13
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents:
2
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47 M END |
0850f2dfba13
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents:
2
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48 > <PUBCHEM_COMPOUND_CID> |
0850f2dfba13
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents:
2
diff
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49 2244 |
0850f2dfba13
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents:
2
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50 |
0850f2dfba13
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents:
2
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51 > <PUBCHEM_CONFORMER_RMSD> |
0850f2dfba13
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents:
2
diff
changeset
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52 0.6 |
0850f2dfba13
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents:
2
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53 |
0850f2dfba13
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents:
2
diff
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54 > <PUBCHEM_CONFORMER_DIVERSEORDER> |
0850f2dfba13
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents:
2
diff
changeset
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55 1 |
0850f2dfba13
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents:
2
diff
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56 11 |
0850f2dfba13
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents:
2
diff
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57 10 |
0850f2dfba13
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents:
2
diff
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58 3 |
0850f2dfba13
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents:
2
diff
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59 15 |
0850f2dfba13
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents:
2
diff
changeset
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60 17 |
0850f2dfba13
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents:
2
diff
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61 13 |
0850f2dfba13
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents:
2
diff
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62 5 |
0850f2dfba13
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents:
2
diff
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63 16 |
0850f2dfba13
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents:
2
diff
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64 7 |
0850f2dfba13
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents:
2
diff
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65 14 |
0850f2dfba13
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents:
2
diff
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66 9 |
0850f2dfba13
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents:
2
diff
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67 8 |
0850f2dfba13
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents:
2
diff
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68 4 |
0850f2dfba13
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents:
2
diff
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69 18 |
0850f2dfba13
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents:
2
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70 6 |
0850f2dfba13
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents:
2
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71 12 |
0850f2dfba13
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents:
2
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72 2 |
0850f2dfba13
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents:
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73 |
0850f2dfba13
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents:
2
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74 > <PUBCHEM_MMFF94_PARTIAL_CHARGES> |
0850f2dfba13
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents:
2
diff
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75 18 |
0850f2dfba13
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents:
2
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76 1 -0.23 |
0850f2dfba13
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents:
2
diff
changeset
|
77 10 -0.15 |
0850f2dfba13
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents:
2
diff
changeset
|
78 11 0.63 |
0850f2dfba13
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents:
2
diff
changeset
|
79 12 0.66 |
0850f2dfba13
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents:
2
diff
changeset
|
80 13 0.06 |
0850f2dfba13
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents:
2
diff
changeset
|
81 14 0.15 |
0850f2dfba13
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents:
2
diff
changeset
|
82 15 0.15 |
0850f2dfba13
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents:
2
diff
changeset
|
83 16 0.15 |
0850f2dfba13
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents:
2
diff
changeset
|
84 17 0.15 |
0850f2dfba13
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents:
2
diff
changeset
|
85 2 -0.65 |
0850f2dfba13
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents:
2
diff
changeset
|
86 21 0.5 |
0850f2dfba13
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents:
2
diff
changeset
|
87 3 -0.57 |
0850f2dfba13
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents:
2
diff
changeset
|
88 4 -0.57 |
0850f2dfba13
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents:
2
diff
changeset
|
89 5 0.08 |
0850f2dfba13
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents:
2
diff
changeset
|
90 6 0.09 |
0850f2dfba13
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents:
2
diff
changeset
|
91 7 -0.15 |
0850f2dfba13
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents:
2
diff
changeset
|
92 8 -0.15 |
0850f2dfba13
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents:
2
diff
changeset
|
93 9 -0.15 |
0850f2dfba13
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents:
2
diff
changeset
|
94 |
0850f2dfba13
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents:
2
diff
changeset
|
95 > <PUBCHEM_EFFECTIVE_ROTOR_COUNT> |
0850f2dfba13
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents:
2
diff
changeset
|
96 3 |
0850f2dfba13
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents:
2
diff
changeset
|
97 |
0850f2dfba13
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents:
2
diff
changeset
|
98 > <PUBCHEM_PHARMACOPHORE_FEATURES> |
0850f2dfba13
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents:
2
diff
changeset
|
99 5 |
0850f2dfba13
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents:
2
diff
changeset
|
100 1 2 acceptor |
0850f2dfba13
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents:
2
diff
changeset
|
101 1 3 acceptor |
0850f2dfba13
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents:
2
diff
changeset
|
102 1 4 acceptor |
0850f2dfba13
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents:
2
diff
changeset
|
103 3 2 3 11 anion |
0850f2dfba13
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents:
2
diff
changeset
|
104 6 5 6 7 8 9 10 rings |
0850f2dfba13
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents:
2
diff
changeset
|
105 |
0850f2dfba13
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents:
2
diff
changeset
|
106 > <PUBCHEM_HEAVY_ATOM_COUNT> |
0850f2dfba13
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents:
2
diff
changeset
|
107 13 |
0850f2dfba13
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents:
2
diff
changeset
|
108 |
0850f2dfba13
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents:
2
diff
changeset
|
109 > <PUBCHEM_ATOM_DEF_STEREO_COUNT> |
0850f2dfba13
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents:
2
diff
changeset
|
110 0 |
0850f2dfba13
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents:
2
diff
changeset
|
111 |
0850f2dfba13
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents:
2
diff
changeset
|
112 > <PUBCHEM_ATOM_UDEF_STEREO_COUNT> |
0850f2dfba13
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents:
2
diff
changeset
|
113 0 |
0850f2dfba13
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents:
2
diff
changeset
|
114 |
0850f2dfba13
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents:
2
diff
changeset
|
115 > <PUBCHEM_BOND_DEF_STEREO_COUNT> |
0850f2dfba13
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents:
2
diff
changeset
|
116 0 |
0850f2dfba13
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents:
2
diff
changeset
|
117 |
0850f2dfba13
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents:
2
diff
changeset
|
118 > <PUBCHEM_BOND_UDEF_STEREO_COUNT> |
0850f2dfba13
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents:
2
diff
changeset
|
119 0 |
0850f2dfba13
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents:
2
diff
changeset
|
120 |
0850f2dfba13
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents:
2
diff
changeset
|
121 > <PUBCHEM_ISOTOPIC_ATOM_COUNT> |
0850f2dfba13
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents:
2
diff
changeset
|
122 0 |
0850f2dfba13
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents:
2
diff
changeset
|
123 |
0850f2dfba13
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents:
2
diff
changeset
|
124 > <PUBCHEM_COMPONENT_COUNT> |
0850f2dfba13
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents:
2
diff
changeset
|
125 1 |
0850f2dfba13
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents:
2
diff
changeset
|
126 |
0850f2dfba13
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents:
2
diff
changeset
|
127 > <PUBCHEM_CACTVS_TAUTO_COUNT> |
0850f2dfba13
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents:
2
diff
changeset
|
128 1 |
0850f2dfba13
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents:
2
diff
changeset
|
129 |
0850f2dfba13
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents:
2
diff
changeset
|
130 > <PUBCHEM_CONFORMER_ID> |
0850f2dfba13
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents:
2
diff
changeset
|
131 000008C400000001 |
0850f2dfba13
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents:
2
diff
changeset
|
132 |
0850f2dfba13
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents:
2
diff
changeset
|
133 > <PUBCHEM_COORDINATE_TYPE> |
0850f2dfba13
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents:
2
diff
changeset
|
134 2 |
0850f2dfba13
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents:
2
diff
changeset
|
135 5 |
0850f2dfba13
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents:
2
diff
changeset
|
136 10 |
0850f2dfba13
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents:
2
diff
changeset
|
137 |
0850f2dfba13
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents:
2
diff
changeset
|
138 $$$$ |