Mercurial > repos > bgruening > openbabel_spectrophore_search

comparison macros.xml @ 4:99ecf8dd7ba1 draft

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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/openbabel commit c84729ec58f7f52d594066158afed175208d3d66
author bgruening
date Wed, 24 May 2017 10:04:08 -0400
parents 7133973beaf0
children f93f3e01abe8
comparison
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3:a1db432874e5 4:99ecf8dd7ba1
11 <xml name="output_like_input"> 11 <xml name="output_like_input">
12 <data name="outfile" format_source="infile" /> 12 <data name="outfile" format_source="infile" />
13 </xml> 13 </xml>
14 14
15 <xml name="infile_all_types"> 15 <xml name="infile_all_types">
16 <param name="infile" format="sdf,mol,mol2,cml,inchi,smi" type="data" label="Molecular input file" 16 <param name="infile" format="sdf,mol,mol2,cml,inchi,smi,pdb" type="data" label="Molecular input file"
17 help="Valid file types are: SDF, MOL, MOL2, CML, InChI and SMILES"/> 17 help="Valid file types are: SDF, MOL, MOL2, CML, InChI, SMILES, and PDB"/>
18 </xml> 18 </xml>
19 19
20 <xml name="2D_3D_opts"> 20 <xml name="2D_3D_opts">
21 <param name="gen2d" type="boolean" truevalue="--gen2d" falsevalue="" checked="false" 21 <param name="gen2d" type="boolean" truevalue="--gen2d" falsevalue="" checked="false"
22 label="Generate 2D coordinates" help="(--gen2d)" /> 22 label="Generate 2D coordinates" help="(--gen2d)" />