Mercurial > repos > chemteam > bio3d_rmsf
annotate rmsf.xml @ 0:e838317708a6 draft
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tree/master/tools/bio3d commit 580d80c3fd856bb3ae18ef7b5458eb3b5e2c7374
author | chemteam |
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date | Mon, 08 Oct 2018 12:50:23 -0400 |
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children | 057daf00ca31 |
rev | line source |
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0
e838317708a6
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tree/master/tools/bio3d commit 580d80c3fd856bb3ae18ef7b5458eb3b5e2c7374
chemteam
parents:
diff
changeset
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1 <tool id="bio3d_rmsf" name="RMSF Analysis" version="@VERSION@"> |
e838317708a6
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tree/master/tools/bio3d commit 580d80c3fd856bb3ae18ef7b5458eb3b5e2c7374
chemteam
parents:
diff
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2 <description>rmsf using Bio3D</description> |
e838317708a6
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tree/master/tools/bio3d commit 580d80c3fd856bb3ae18ef7b5458eb3b5e2c7374
chemteam
parents:
diff
changeset
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3 <macros> |
e838317708a6
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tree/master/tools/bio3d commit 580d80c3fd856bb3ae18ef7b5458eb3b5e2c7374
chemteam
parents:
diff
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4 <import>macros.xml</import> |
e838317708a6
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tree/master/tools/bio3d commit 580d80c3fd856bb3ae18ef7b5458eb3b5e2c7374
chemteam
parents:
diff
changeset
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5 </macros> |
e838317708a6
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tree/master/tools/bio3d commit 580d80c3fd856bb3ae18ef7b5458eb3b5e2c7374
chemteam
parents:
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6 <expand macro="requirements" /> |
e838317708a6
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tree/master/tools/bio3d commit 580d80c3fd856bb3ae18ef7b5458eb3b5e2c7374
chemteam
parents:
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7 <command detect_errors="exit_code"> |
e838317708a6
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tree/master/tools/bio3d commit 580d80c3fd856bb3ae18ef7b5458eb3b5e2c7374
chemteam
parents:
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8 <![CDATA[ |
e838317708a6
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tree/master/tools/bio3d commit 580d80c3fd856bb3ae18ef7b5458eb3b5e2c7374
chemteam
parents:
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9 Rscript '$__tool_directory__/rmsf.R' |
e838317708a6
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tree/master/tools/bio3d commit 580d80c3fd856bb3ae18ef7b5458eb3b5e2c7374
chemteam
parents:
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changeset
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10 '$dcdin' |
e838317708a6
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tree/master/tools/bio3d commit 580d80c3fd856bb3ae18ef7b5458eb3b5e2c7374
chemteam
parents:
diff
changeset
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11 '$pdbin' |
e838317708a6
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tree/master/tools/bio3d commit 580d80c3fd856bb3ae18ef7b5458eb3b5e2c7374
chemteam
parents:
diff
changeset
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12 #if $rmsf.sele == 'calpha': |
e838317708a6
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tree/master/tools/bio3d commit 580d80c3fd856bb3ae18ef7b5458eb3b5e2c7374
chemteam
parents:
diff
changeset
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13 "string" |
e838317708a6
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tree/master/tools/bio3d commit 580d80c3fd856bb3ae18ef7b5458eb3b5e2c7374
chemteam
parents:
diff
changeset
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14 "calpha" |
e838317708a6
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tree/master/tools/bio3d commit 580d80c3fd856bb3ae18ef7b5458eb3b5e2c7374
chemteam
parents:
diff
changeset
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15 #end if |
e838317708a6
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tree/master/tools/bio3d commit 580d80c3fd856bb3ae18ef7b5458eb3b5e2c7374
chemteam
parents:
diff
changeset
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16 #if $rmsf.sele == 'cbeta': |
e838317708a6
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tree/master/tools/bio3d commit 580d80c3fd856bb3ae18ef7b5458eb3b5e2c7374
chemteam
parents:
diff
changeset
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17 "string" |
e838317708a6
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tree/master/tools/bio3d commit 580d80c3fd856bb3ae18ef7b5458eb3b5e2c7374
chemteam
parents:
diff
changeset
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18 '$rmsf.cbeta' |
e838317708a6
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tree/master/tools/bio3d commit 580d80c3fd856bb3ae18ef7b5458eb3b5e2c7374
chemteam
parents:
diff
changeset
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19 #end if |
e838317708a6
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tree/master/tools/bio3d commit 580d80c3fd856bb3ae18ef7b5458eb3b5e2c7374
chemteam
parents:
diff
changeset
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20 #if $rmsf.sele == 'backbone': |
e838317708a6
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tree/master/tools/bio3d commit 580d80c3fd856bb3ae18ef7b5458eb3b5e2c7374
chemteam
parents:
diff
changeset
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21 "string" |
e838317708a6
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tree/master/tools/bio3d commit 580d80c3fd856bb3ae18ef7b5458eb3b5e2c7374
chemteam
parents:
diff
changeset
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22 "backbone" |
e838317708a6
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tree/master/tools/bio3d commit 580d80c3fd856bb3ae18ef7b5458eb3b5e2c7374
chemteam
parents:
diff
changeset
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23 #end if |
e838317708a6
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tree/master/tools/bio3d commit 580d80c3fd856bb3ae18ef7b5458eb3b5e2c7374
chemteam
parents:
diff
changeset
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24 #if $rmsf.sele == 'sidechain': |
e838317708a6
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tree/master/tools/bio3d commit 580d80c3fd856bb3ae18ef7b5458eb3b5e2c7374
chemteam
parents:
diff
changeset
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25 "string" |
e838317708a6
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tree/master/tools/bio3d commit 580d80c3fd856bb3ae18ef7b5458eb3b5e2c7374
chemteam
parents:
diff
changeset
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26 '$rmsf.sidechain' |
e838317708a6
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tree/master/tools/bio3d commit 580d80c3fd856bb3ae18ef7b5458eb3b5e2c7374
chemteam
parents:
diff
changeset
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27 #end if |
e838317708a6
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tree/master/tools/bio3d commit 580d80c3fd856bb3ae18ef7b5458eb3b5e2c7374
chemteam
parents:
diff
changeset
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28 #if $rmsf.sele == 'protein': |
e838317708a6
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tree/master/tools/bio3d commit 580d80c3fd856bb3ae18ef7b5458eb3b5e2c7374
chemteam
parents:
diff
changeset
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29 "string" |
e838317708a6
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tree/master/tools/bio3d commit 580d80c3fd856bb3ae18ef7b5458eb3b5e2c7374
chemteam
parents:
diff
changeset
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30 "protein" |
e838317708a6
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tree/master/tools/bio3d commit 580d80c3fd856bb3ae18ef7b5458eb3b5e2c7374
chemteam
parents:
diff
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31 #end if |
e838317708a6
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tree/master/tools/bio3d commit 580d80c3fd856bb3ae18ef7b5458eb3b5e2c7374
chemteam
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diff
changeset
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32 #if $rmsf.sele == 'ligand': |
e838317708a6
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tree/master/tools/bio3d commit 580d80c3fd856bb3ae18ef7b5458eb3b5e2c7374
chemteam
parents:
diff
changeset
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33 "string" |
e838317708a6
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tree/master/tools/bio3d commit 580d80c3fd856bb3ae18ef7b5458eb3b5e2c7374
chemteam
parents:
diff
changeset
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34 "ligand" |
e838317708a6
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tree/master/tools/bio3d commit 580d80c3fd856bb3ae18ef7b5458eb3b5e2c7374
chemteam
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diff
changeset
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35 #end if |
e838317708a6
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tree/master/tools/bio3d commit 580d80c3fd856bb3ae18ef7b5458eb3b5e2c7374
chemteam
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diff
changeset
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36 #if $rmsf.sele == 'nucleic': |
e838317708a6
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tree/master/tools/bio3d commit 580d80c3fd856bb3ae18ef7b5458eb3b5e2c7374
chemteam
parents:
diff
changeset
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37 "string" |
e838317708a6
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tree/master/tools/bio3d commit 580d80c3fd856bb3ae18ef7b5458eb3b5e2c7374
chemteam
parents:
diff
changeset
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38 "nucleic" |
e838317708a6
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tree/master/tools/bio3d commit 580d80c3fd856bb3ae18ef7b5458eb3b5e2c7374
chemteam
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39 #end if |
e838317708a6
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tree/master/tools/bio3d commit 580d80c3fd856bb3ae18ef7b5458eb3b5e2c7374
chemteam
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40 #if $rmsf.sele == 'water': |
e838317708a6
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tree/master/tools/bio3d commit 580d80c3fd856bb3ae18ef7b5458eb3b5e2c7374
chemteam
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41 "string" |
e838317708a6
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tree/master/tools/bio3d commit 580d80c3fd856bb3ae18ef7b5458eb3b5e2c7374
chemteam
parents:
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42 "water" |
e838317708a6
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tree/master/tools/bio3d commit 580d80c3fd856bb3ae18ef7b5458eb3b5e2c7374
chemteam
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43 #end if |
e838317708a6
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tree/master/tools/bio3d commit 580d80c3fd856bb3ae18ef7b5458eb3b5e2c7374
chemteam
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44 #if $rmsf.sele == 'hyd': |
e838317708a6
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tree/master/tools/bio3d commit 580d80c3fd856bb3ae18ef7b5458eb3b5e2c7374
chemteam
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45 "string" |
e838317708a6
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tree/master/tools/bio3d commit 580d80c3fd856bb3ae18ef7b5458eb3b5e2c7374
chemteam
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46 "hyd" |
e838317708a6
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tree/master/tools/bio3d commit 580d80c3fd856bb3ae18ef7b5458eb3b5e2c7374
chemteam
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47 #end if |
e838317708a6
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tree/master/tools/bio3d commit 580d80c3fd856bb3ae18ef7b5458eb3b5e2c7374
chemteam
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48 #if $rmsf.sele == 'noh': |
e838317708a6
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tree/master/tools/bio3d commit 580d80c3fd856bb3ae18ef7b5458eb3b5e2c7374
chemteam
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49 "string" |
e838317708a6
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tree/master/tools/bio3d commit 580d80c3fd856bb3ae18ef7b5458eb3b5e2c7374
chemteam
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50 "noh" |
e838317708a6
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tree/master/tools/bio3d commit 580d80c3fd856bb3ae18ef7b5458eb3b5e2c7374
chemteam
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51 #end if |
e838317708a6
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tree/master/tools/bio3d commit 580d80c3fd856bb3ae18ef7b5458eb3b5e2c7374
chemteam
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52 #if $rmsf.sele == 'loop': |
e838317708a6
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tree/master/tools/bio3d commit 580d80c3fd856bb3ae18ef7b5458eb3b5e2c7374
chemteam
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53 "resno" |
e838317708a6
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tree/master/tools/bio3d commit 580d80c3fd856bb3ae18ef7b5458eb3b5e2c7374
chemteam
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54 '$rmsf.res1' |
e838317708a6
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tree/master/tools/bio3d commit 580d80c3fd856bb3ae18ef7b5458eb3b5e2c7374
chemteam
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55 '$rmsf.res2' |
e838317708a6
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tree/master/tools/bio3d commit 580d80c3fd856bb3ae18ef7b5458eb3b5e2c7374
chemteam
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56 #end if |
e838317708a6
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tree/master/tools/bio3d commit 580d80c3fd856bb3ae18ef7b5458eb3b5e2c7374
chemteam
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57 #if $rmsf.sele == "elety": |
e838317708a6
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tree/master/tools/bio3d commit 580d80c3fd856bb3ae18ef7b5458eb3b5e2c7374
chemteam
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58 "elety" |
e838317708a6
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tree/master/tools/bio3d commit 580d80c3fd856bb3ae18ef7b5458eb3b5e2c7374
chemteam
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59 '$rmsf.elety' |
e838317708a6
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tree/master/tools/bio3d commit 580d80c3fd856bb3ae18ef7b5458eb3b5e2c7374
chemteam
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60 #end if |
e838317708a6
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tree/master/tools/bio3d commit 580d80c3fd856bb3ae18ef7b5458eb3b5e2c7374
chemteam
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61 #if $rmsf.sele == "resid": |
e838317708a6
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tree/master/tools/bio3d commit 580d80c3fd856bb3ae18ef7b5458eb3b5e2c7374
chemteam
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62 "resid" |
e838317708a6
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tree/master/tools/bio3d commit 580d80c3fd856bb3ae18ef7b5458eb3b5e2c7374
chemteam
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63 '$rmsf.resid' |
e838317708a6
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tree/master/tools/bio3d commit 580d80c3fd856bb3ae18ef7b5458eb3b5e2c7374
chemteam
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64 #end if |
e838317708a6
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tree/master/tools/bio3d commit 580d80c3fd856bb3ae18ef7b5458eb3b5e2c7374
chemteam
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65 #if $rmsf.sele == "segid": |
e838317708a6
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tree/master/tools/bio3d commit 580d80c3fd856bb3ae18ef7b5458eb3b5e2c7374
chemteam
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66 "segid" |
e838317708a6
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tree/master/tools/bio3d commit 580d80c3fd856bb3ae18ef7b5458eb3b5e2c7374
chemteam
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67 '$rmsf.segid' |
e838317708a6
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tree/master/tools/bio3d commit 580d80c3fd856bb3ae18ef7b5458eb3b5e2c7374
chemteam
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68 #end if |
e838317708a6
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tree/master/tools/bio3d commit 580d80c3fd856bb3ae18ef7b5458eb3b5e2c7374
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69 '$output' |
e838317708a6
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tree/master/tools/bio3d commit 580d80c3fd856bb3ae18ef7b5458eb3b5e2c7374
chemteam
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70 '$rmsf_plot' |
e838317708a6
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tree/master/tools/bio3d commit 580d80c3fd856bb3ae18ef7b5458eb3b5e2c7374
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71 2>&1 |
e838317708a6
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tree/master/tools/bio3d commit 580d80c3fd856bb3ae18ef7b5458eb3b5e2c7374
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72 ]]></command> |
e838317708a6
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tree/master/tools/bio3d commit 580d80c3fd856bb3ae18ef7b5458eb3b5e2c7374
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73 <inputs> |
e838317708a6
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tree/master/tools/bio3d commit 580d80c3fd856bb3ae18ef7b5458eb3b5e2c7374
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74 <expand macro="analysis_inputs"/> |
e838317708a6
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tree/master/tools/bio3d commit 580d80c3fd856bb3ae18ef7b5458eb3b5e2c7374
chemteam
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75 <conditional name="rmsf"> |
e838317708a6
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tree/master/tools/bio3d commit 580d80c3fd856bb3ae18ef7b5458eb3b5e2c7374
chemteam
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76 <param name="sele" type="select" label="Select domains"> |
e838317708a6
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tree/master/tools/bio3d commit 580d80c3fd856bb3ae18ef7b5458eb3b5e2c7374
chemteam
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77 <option value="calpha">Calpha</option> |
e838317708a6
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tree/master/tools/bio3d commit 580d80c3fd856bb3ae18ef7b5458eb3b5e2c7374
chemteam
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78 <option value="cbeta">Cbeta</option> |
e838317708a6
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tree/master/tools/bio3d commit 580d80c3fd856bb3ae18ef7b5458eb3b5e2c7374
chemteam
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79 <option value="backbone">Backbone</option> |
e838317708a6
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tree/master/tools/bio3d commit 580d80c3fd856bb3ae18ef7b5458eb3b5e2c7374
chemteam
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80 <option value="sidechain">Sidechain</option> |
e838317708a6
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81 <option value="protein">Protein</option> |
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82 <option value="ligand">Ligand</option> |
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83 <option value="nucleic">Nucleic Acids</option> |
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84 <option value="loop">Loop</option> |
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85 <option value="water">Water</option> |
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86 <option value="hyd">Hydrogens</option> |
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87 <option value="noh">Non Hydrogens</option> |
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88 <option value="elety">Atom Names</option> |
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89 <option value="resid">Resid</option> |
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90 <option value="segid">Segid</option> |
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91 </param> |
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92 <when value="calpha"> |
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93 </when> |
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94 <when value="cbeta"> |
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95 </when> |
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96 <when value="backbone"> |
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97 </when> |
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98 <when value="sidechain"> |
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99 </when> |
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100 <when value="protein"> |
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101 </when> |
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102 <when value="ligand"> |
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103 </when> |
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104 <when value="nucleic"> |
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105 </when> |
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106 <when value="loop"> |
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107 <param name="res1" type="text" label="Resid of the loop starting residue"/> |
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108 <param name="res2" type="text" label="Resid of the loop ending residue"/> |
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109 </when> |
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110 <when value="water"> |
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111 </when> |
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112 <when value="hyd"> |
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113 </when> |
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114 <when value="noh"> |
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115 </when> |
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116 <when value="elety"> |
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117 <param name="elety" type="text" value="CA" label="Atom Name"/> |
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118 </when> |
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119 <when value="resid"> |
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120 <param name="resid" type="text" value="BGLC" label="Resid"/> |
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121 </when> |
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122 <when value="segid"> |
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123 <param name="segid" type="text" value="SUBS" label="Segid"/> |
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124 </when> |
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125 </conditional> |
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126 </inputs> |
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127 <outputs> |
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128 <data format="tabular" name="output" label="rmsf raw data"/> |
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129 <data format="png" name="rmsf_plot" label="rmsf plot"/> |
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130 </outputs> |
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131 <tests> |
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132 <test> |
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133 <expand macro="tests_inputs"/> |
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134 <param name="sele" value="calpha"/> |
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135 <output name="output"> |
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136 <assert_contents> |
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137 <has_n_columns n="2" /> |
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138 </assert_contents> |
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139 </output> |
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140 </test> |
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141 </tests> |
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142 <help><![CDATA[ |
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143 |
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144 .. class:: infomark |
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145 |
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146 **What it does** |
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147 |
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148 The Root Mean Square Fluctuation (RMSF) conformational variance that analysis can analyze the |
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149 portions of structure that are fluctuating from their mean structure the most (or least). This tool can calculate and plot the RMSF of the selected section. |
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150 |
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151 _____ |
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152 |
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153 .. class:: infomark |
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154 |
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155 **Input** |
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156 |
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157 - Input file in PDB format |
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158 - Input file in DCD format |
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159 |
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160 _____ |
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161 |
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planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tree/master/tools/bio3d commit 580d80c3fd856bb3ae18ef7b5458eb3b5e2c7374
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162 .. class:: infomark |
e838317708a6
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tree/master/tools/bio3d commit 580d80c3fd856bb3ae18ef7b5458eb3b5e2c7374
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163 |
e838317708a6
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tree/master/tools/bio3d commit 580d80c3fd856bb3ae18ef7b5458eb3b5e2c7374
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164 **Output** |
e838317708a6
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tree/master/tools/bio3d commit 580d80c3fd856bb3ae18ef7b5458eb3b5e2c7374
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165 |
e838317708a6
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tree/master/tools/bio3d commit 580d80c3fd856bb3ae18ef7b5458eb3b5e2c7374
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166 - Image (as PNG) of the rmsf plot |
e838317708a6
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tree/master/tools/bio3d commit 580d80c3fd856bb3ae18ef7b5458eb3b5e2c7374
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167 - Tab-separated file of raw data |
e838317708a6
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tree/master/tools/bio3d commit 580d80c3fd856bb3ae18ef7b5458eb3b5e2c7374
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168 |
e838317708a6
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tree/master/tools/bio3d commit 580d80c3fd856bb3ae18ef7b5458eb3b5e2c7374
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169 |
e838317708a6
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tree/master/tools/bio3d commit 580d80c3fd856bb3ae18ef7b5458eb3b5e2c7374
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170 ]]></help> |
e838317708a6
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tree/master/tools/bio3d commit 580d80c3fd856bb3ae18ef7b5458eb3b5e2c7374
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171 <expand macro="citations" /> |
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planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tree/master/tools/bio3d commit 580d80c3fd856bb3ae18ef7b5458eb3b5e2c7374
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172 </tool> |