view macros.xml @ 0:78aa3659fcd1 draft

"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 1b23e024af45cc0999d9142d07de6897d4189ec2"

<macros>
    <token name="@TOOL_VERSION@">1.0.0</token>
    <xml name="requirements">
        <requirements>
            <requirement type="package" version="@TOOL_VERSION@">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>