annotate macros.xml @ 9:f924a1728291 draft

"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/openbabel commit a889b6ed75666406a95e29d672b58a8fee6e8784"

<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>