Mercurial > repos > recetox > filter_compounds
annotate macros.xml @ 1:6c5df3eeb768 draft default tip
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/filter_compounds commit b757d35278216a1f43bd53ea687a951b005e47df
author | recetox |
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date | Wed, 20 Mar 2024 12:20:17 +0000 |
parents | 72b687d21f65 |
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72b687d21f65
"planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/filter_compounds commit 4d2ac914c951166e386a94d8ebb8cb1becfac122"
recetox
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1 <macros> |
72b687d21f65
"planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/filter_compounds commit 4d2ac914c951166e386a94d8ebb8cb1becfac122"
recetox
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2 <token name="@TOOL_VERSION@">3.1.1</token> |
1
6c5df3eeb768
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/filter_compounds commit b757d35278216a1f43bd53ea687a951b005e47df
recetox
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3 <token name="@GALAXY_VERSION@">2</token> |
0
72b687d21f65
"planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/filter_compounds commit 4d2ac914c951166e386a94d8ebb8cb1becfac122"
recetox
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4 <xml name="creator"> |
72b687d21f65
"planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/filter_compounds commit 4d2ac914c951166e386a94d8ebb8cb1becfac122"
recetox
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5 <creator> |
72b687d21f65
"planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/filter_compounds commit 4d2ac914c951166e386a94d8ebb8cb1becfac122"
recetox
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6 <person |
72b687d21f65
"planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/filter_compounds commit 4d2ac914c951166e386a94d8ebb8cb1becfac122"
recetox
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7 givenName="KarolĂna" |
72b687d21f65
"planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/filter_compounds commit 4d2ac914c951166e386a94d8ebb8cb1becfac122"
recetox
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8 familyName="Trachtová" |
72b687d21f65
"planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/filter_compounds commit 4d2ac914c951166e386a94d8ebb8cb1becfac122"
recetox
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9 url="https://github.com/trachtok" /> |
72b687d21f65
"planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/filter_compounds commit 4d2ac914c951166e386a94d8ebb8cb1becfac122"
recetox
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10 <organization |
72b687d21f65
"planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/filter_compounds commit 4d2ac914c951166e386a94d8ebb8cb1becfac122"
recetox
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11 url="https://www.recetox.muni.cz/" |
72b687d21f65
"planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/filter_compounds commit 4d2ac914c951166e386a94d8ebb8cb1becfac122"
recetox
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12 email="GalaxyToolsDevelopmentandDeployment@space.muni.cz" |
72b687d21f65
"planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/filter_compounds commit 4d2ac914c951166e386a94d8ebb8cb1becfac122"
recetox
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13 name="RECETOX MUNI" /> |
72b687d21f65
"planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/filter_compounds commit 4d2ac914c951166e386a94d8ebb8cb1becfac122"
recetox
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14 </creator> |
72b687d21f65
"planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/filter_compounds commit 4d2ac914c951166e386a94d8ebb8cb1becfac122"
recetox
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15 </xml> |
72b687d21f65
"planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/filter_compounds commit 4d2ac914c951166e386a94d8ebb8cb1becfac122"
recetox
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16 |
72b687d21f65
"planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/filter_compounds commit 4d2ac914c951166e386a94d8ebb8cb1becfac122"
recetox
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17 <xml name="requirements"> |
72b687d21f65
"planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/filter_compounds commit 4d2ac914c951166e386a94d8ebb8cb1becfac122"
recetox
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18 <requirements> |
72b687d21f65
"planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/filter_compounds commit 4d2ac914c951166e386a94d8ebb8cb1becfac122"
recetox
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19 <requirement type="package" version="@TOOL_VERSION@">openbabel</requirement> |
72b687d21f65
"planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/filter_compounds commit 4d2ac914c951166e386a94d8ebb8cb1becfac122"
recetox
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20 <requirement type="package" version="3">python</requirement> |
72b687d21f65
"planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/filter_compounds commit 4d2ac914c951166e386a94d8ebb8cb1becfac122"
recetox
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21 <yield /> |
72b687d21f65
"planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/filter_compounds commit 4d2ac914c951166e386a94d8ebb8cb1becfac122"
recetox
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22 </requirements> |
72b687d21f65
"planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/filter_compounds commit 4d2ac914c951166e386a94d8ebb8cb1becfac122"
recetox
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23 </xml> |
72b687d21f65
"planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/filter_compounds commit 4d2ac914c951166e386a94d8ebb8cb1becfac122"
recetox
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24 |
72b687d21f65
"planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/filter_compounds commit 4d2ac914c951166e386a94d8ebb8cb1becfac122"
recetox
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25 <xml name="stdio"> |
72b687d21f65
"planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/filter_compounds commit 4d2ac914c951166e386a94d8ebb8cb1becfac122"
recetox
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26 <stdio> |
72b687d21f65
"planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/filter_compounds commit 4d2ac914c951166e386a94d8ebb8cb1becfac122"
recetox
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27 <exit_code range="1:" level="fatal" description="Error occurred. Please check Tool Standard Error" /> |
72b687d21f65
"planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/filter_compounds commit 4d2ac914c951166e386a94d8ebb8cb1becfac122"
recetox
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28 </stdio> |
72b687d21f65
"planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/filter_compounds commit 4d2ac914c951166e386a94d8ebb8cb1becfac122"
recetox
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29 </xml> |
72b687d21f65
"planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/filter_compounds commit 4d2ac914c951166e386a94d8ebb8cb1becfac122"
recetox
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30 |
72b687d21f65
"planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/filter_compounds commit 4d2ac914c951166e386a94d8ebb8cb1becfac122"
recetox
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31 <token name="@HELP@"> |
72b687d21f65
"planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/filter_compounds commit 4d2ac914c951166e386a94d8ebb8cb1becfac122"
recetox
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32 <![CDATA[ |
72b687d21f65
"planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/filter_compounds commit 4d2ac914c951166e386a94d8ebb8cb1becfac122"
recetox
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33 .. class:: infomark |
72b687d21f65
"planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/filter_compounds commit 4d2ac914c951166e386a94d8ebb8cb1becfac122"
recetox
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34 |
72b687d21f65
"planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/filter_compounds commit 4d2ac914c951166e386a94d8ebb8cb1becfac122"
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35 **What this tool does** |
72b687d21f65
"planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/filter_compounds commit 4d2ac914c951166e386a94d8ebb8cb1becfac122"
recetox
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36 |
72b687d21f65
"planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/filter_compounds commit 4d2ac914c951166e386a94d8ebb8cb1becfac122"
recetox
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37 Filters organometallics (compounds containing atoms other than C|N|O|P|F|S|I|B|Si|Se|Cl|Br|Li|Na|H|K) or |
72b687d21f65
"planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/filter_compounds commit 4d2ac914c951166e386a94d8ebb8cb1becfac122"
recetox
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38 anorganics (compounds without C). Input can be either list of SMILES identifiers or indexed table of SMILES |
72b687d21f65
"planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/filter_compounds commit 4d2ac914c951166e386a94d8ebb8cb1becfac122"
recetox
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39 (two tab-separated columns, first column is index, second columns is SMILES). |
72b687d21f65
"planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/filter_compounds commit 4d2ac914c951166e386a94d8ebb8cb1becfac122"
recetox
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40 ]]> |
72b687d21f65
"planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/filter_compounds commit 4d2ac914c951166e386a94d8ebb8cb1becfac122"
recetox
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41 </token> |
72b687d21f65
"planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/filter_compounds commit 4d2ac914c951166e386a94d8ebb8cb1becfac122"
recetox
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42 </macros> |