Mercurial > repos > bgruening > openbabel_remduplicates
view macros.xml @ 14:b2569e22b40c draft
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/openbabel commit 327c29cc43f56d7067ab9fa51323ea31951db98b"
author | bgruening |
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date | Tue, 10 Nov 2020 20:30:47 +0000 |
parents | 12aca74f07d7 |
children |
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<macros> <token name="@TOOL_VERSION@">3.1.1</token> <xml name="requirements"> <requirements> <requirement type="package" version="@TOOL_VERSION@">openbabel</requirement> <requirement type="package" version="3.6">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="infile_all_types_except_inchi"> <param name="infile" format="sdf,mol,mol2,cml,smi,pdb" type="data" label="Molecular input file" help="Valid file types are: SDF, MOL, MOL2, CML, 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>