Mercurial > repos > bgruening > openbabel_addh
view macros.xml @ 8:883fe4f7f1b2 draft
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/openbabel commit 72df8ae9b8fd9910b3d24aa0836b9b3c9d43f4fb
author | bgruening |
---|---|
date | Fri, 10 May 2019 08:53:02 -0400 |
parents | d2e6d682bcd0 |
children | 0691e5e97cd5 |
line wrap: on
line source
<macros> <token name="@VERSION@">2.4.2</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>