view macros.xml @ 5:b63a8bdb4b90 draft

"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 12823af06b7926cc56aaf9b59cfea9f16d342b8c"

<macros>
    <token name="@VERSION@">0.20</token>
    <xml name="requirements">
        <requirements>
            <requirement type="package" version="0.20.1">mdanalysis</requirement>
            <yield/>
        </requirements>
    </xml>
    <xml name="analysis_inputs">
        <param format="dcd,xtc" name="trajin" type="data" label="DCD/XTC trajectory input"/>
        <param format="pdb,gro" name="strin" type="data" label="PDB/GRO input"/>
        <yield/>
    </xml>
    <xml name="sanitizer">
        <sanitizer invalid_char="">
            <valid initial="string.ascii_letters,string.digits"/>
         </sanitizer>
         <yield/>
    </xml>
    <xml name="sanitizer_resids">
        <sanitizer invalid_char="">
            <valid initial="string.digits"/>
        </sanitizer>
        <yield/>
    </xml>
    <xml name="tests_inputs">
        <param name="trajin" value="test.dcd" ftype="dcd"/>
        <param name="strin" value="test.pdb" ftype="pdb"/>
        <yield/>
    </xml>
    <xml name="tests_inputs_gmx">
        <param name="trajin" value="test.xtc" ftype="xtc"/>
        <param name="strin" value="test.gro" ftype="gro"/>
        <yield/>
    </xml>
    <xml name="citations">
        <citations>
            <citation type="doi">10.1093/bioinformatics/btz107</citation>
            <citation type="doi">10.1002/jcc.21787</citation>
            <yield/>
        </citations>
    </xml>
</macros>