Mercurial > repos > bgruening > openbabel_remsmall
view macros.xml @ 1:afb04e0158d4 draft
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/openbabel commit 8350bb3a632722c33bc91ec5238d47a536903729
author | bgruening |
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date | Sat, 20 May 2017 09:00:45 -0400 |
parents | 2704d4017b13 |
children | 5c3c1c132f9f |
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<macros> <token name="@VERSION@">2.4.1</token> <xml name="requirements"> <requirements> <requirement type="package" version="2.4.1">openbabel</requirement> <yield /> </requirements> </xml> <xml name="output_like_input"> <data name="outfile" format_source="infile" /> </xml> <xml name="infile_all_types"> <param name="infile" format="sdf,mol,mol2,cml,inchi,smi" type="data" label="Molecular input file" help="Valid file types are: SDF, MOL, MOL2, CML, InChI and SMILES"/> </xml> <xml name="2D_3D_opts"> <param name="gen2d" type="boolean" truevalue="--gen2d" falsevalue="" checked="false" label="Generate 2D coordinates" help="(--gen2d)" /> <param name="gen3d" type="boolean" truevalue="--gen3d" falsevalue="" checked="false" label="Generate 3D coordinates" help="(--gen3d)" /> </xml> <xml name="stdio"> <stdio> <exit_code range="1:" level="fatal" description="Error occurred. Please check Tool Standard Error" /> </stdio> </xml> <xml name="citations"> <citations> <citation type="doi">10.1186/1758-2946-3-33</citation> <yield /> </citations> </xml> </macros>