Mercurial > repos > bgruening > openbabel_structure_distance_finder

annotate macros.xml @ 4:2f5405da4884 draft

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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/openbabel commit 327c29cc43f56d7067ab9fa51323ea31951db98b"
author bgruening
date Tue, 10 Nov 2020 20:28:00 +0000
parents 9b7755d73428
children
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933eb20bef51 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/openbabel commit 6c84abdd07f292048bf2194073e2e938e94158c4"
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1 <macros>
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5c8809a527a3 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/openbabel commit 944ea4bb8a9cd4244152a4a4fecd0485fabc2ad0"
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2 <token name="@TOOL_VERSION@">3.1.1</token>
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933eb20bef51 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/openbabel commit 6c84abdd07f292048bf2194073e2e938e94158c4"
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4 <xml name="requirements">
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5 <requirements>
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6 <requirement type="package" version="@TOOL_VERSION@">openbabel</requirement>
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2f5405da4884 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/openbabel commit 327c29cc43f56d7067ab9fa51323ea31951db98b"
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7 <requirement type="package" version="3.6">python</requirement>
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8 <yield />
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9 </requirements>
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10 </xml>
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933eb20bef51 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/openbabel commit 6c84abdd07f292048bf2194073e2e938e94158c4"
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12 <xml name="output_like_input">
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13 <data name="outfile" format_source="infile" />
933eb20bef51 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/openbabel commit 6c84abdd07f292048bf2194073e2e938e94158c4"
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14 </xml>
933eb20bef51 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/openbabel commit 6c84abdd07f292048bf2194073e2e938e94158c4"
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933eb20bef51 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/openbabel commit 6c84abdd07f292048bf2194073e2e938e94158c4"
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16 <xml name="infile_all_types">
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17 <param name="infile" format="sdf,mol,mol2,cml,inchi,smi,pdb" type="data" label="Molecular input file"
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18 help="Valid file types are: SDF, MOL, MOL2, CML, InChI, SMILES, and PDB"/>
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19 </xml>
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21 <xml name="infile_all_types_except_inchi">
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22 <param name="infile" format="sdf,mol,mol2,cml,smi,pdb" type="data" label="Molecular input file"
9b7755d73428 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/openbabel commit 1fe240ef0064a1a4a66d9be1ccace53824280b75"
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23 help="Valid file types are: SDF, MOL, MOL2, CML, SMILES, and PDB"/>
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24 </xml>
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25
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26 <xml name="2D_3D_opts">
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27 <param name="gen2d" type="boolean" truevalue="--gen2d" falsevalue="" checked="false"
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28 label="Generate 2D coordinates" help="(--gen2d)" />
933eb20bef51 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/openbabel commit 6c84abdd07f292048bf2194073e2e938e94158c4"
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29 <param name="gen3d" type="boolean" truevalue="--gen3d" falsevalue="" checked="false"
933eb20bef51 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/openbabel commit 6c84abdd07f292048bf2194073e2e938e94158c4"
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30 label="Generate 3D coordinates" help="(--gen3d)" />
933eb20bef51 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/openbabel commit 6c84abdd07f292048bf2194073e2e938e94158c4"
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31 </xml>
933eb20bef51 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/openbabel commit 6c84abdd07f292048bf2194073e2e938e94158c4"
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33 <xml name="stdio">
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34 <stdio>
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35 <exit_code range="1:" level="fatal" description="Error occurred. Please check Tool Standard Error" />
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36 </stdio>
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37 </xml>
933eb20bef51 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/openbabel commit 6c84abdd07f292048bf2194073e2e938e94158c4"
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933eb20bef51 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/openbabel commit 6c84abdd07f292048bf2194073e2e938e94158c4"
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39 <xml name="citations">
933eb20bef51 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/openbabel commit 6c84abdd07f292048bf2194073e2e938e94158c4"
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40 <citations>
933eb20bef51 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/openbabel commit 6c84abdd07f292048bf2194073e2e938e94158c4"
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41 <citation type="doi">10.1186/1758-2946-3-33</citation>
933eb20bef51 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/openbabel commit 6c84abdd07f292048bf2194073e2e938e94158c4"
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42 <yield />
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43 </citations>
933eb20bef51 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/openbabel commit 6c84abdd07f292048bf2194073e2e938e94158c4"
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44 </xml>
933eb20bef51 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/openbabel commit 6c84abdd07f292048bf2194073e2e938e94158c4"
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45 </macros>