comparison mayatoolV1.xml @ 0:68300206e90d draft default tip

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<tool id="mayatoolsbase" name="mayatools" version="1.0.1">
    <description>extract data from file according to field name and Ids </description>
    <requirements>
          <!--requirement type="set_environment">MAYATOOL_PATH</requirement-->
         
    </requirements>
    <command interpreter="perl">mayachemtool/test.pl $outputsdf $inputsdf $Identifier $indexnumbers ;</command>
    <inputs>
        <param name="inputsdf" type="data" format="sdf" label="Main Data File" />
        <param name="Identifier" type="text" label="Field name" help="Give field name of molecules on which compound need to be extracted Ex. MolID,PUBCHEM_COMPOUND_ID,CID etc." />
        <param name="indexnumbers" type="data" format="txt" label="Id file which need to be extracted from dataset" />

        <!--param name="max_olap" type="integer" value="50" label="Set maximum overlap length" help="Overlaps this short or shorter are ignored." /-->
        </inputs>
    <outputs>
        <data name="outputsdf" type="data" label="${outputsdf}.sdf" />
                  
        </outputs>
    <tests>
        
    </tests>
  </tool>