Mercurial > repos > bgruening > openbabel_structure_distance_finder
diff macros.xml @ 0:c066b5accacf draft
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/openbabel commit 6c84abdd07f292048bf2194073e2e938e94158c4"
author | bgruening |
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date | Wed, 25 Mar 2020 16:47:13 -0400 |
parents | |
children | f0502d809c4b |
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--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/macros.xml Wed Mar 25 16:47:13 2020 -0400 @@ -0,0 +1,40 @@ +<macros> + <token name="@VERSION@">2.4.2.1</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>