Mercurial > repos > bgruening > prepare_ligands_for_docking
view macros.xml @ 3:015ccbd1ad68 draft
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/openbabel commit cda909c5e0b88fa3d12abe43fc72b8dd0729417a"
author | bgruening |
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date | Thu, 09 Apr 2020 10:10:31 -0400 |
parents | 2ba07316c7e0 |
children | de4c80d17527 |
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<macros> <token name="@VERSION@">2.4.2.2</token> <xml name="requirements"> <requirements> <requirement type="package" version="2.4.1">openbabel</requirement> <requirement type="package" version="3">python</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,pdb" type="data" label="Molecular input file" help="Valid file types are: SDF, MOL, MOL2, CML, InChI, SMILES, and PDB"/> </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>