annotate PLIDflow/openbabel_SDF_plidflow.xml @ 4:b9e7ec4e3cde draft

Uploaded

<tool id="openbabelSDF_plidflow" name="PLIDflow: Open Babel SDF">
  <description>Open Babel converts chemical structures from one file format to another. Use Open Babel to convert SDF files to PDF files</description>
  <inputs>
	  <param name="ligand_sdf" type="data" format="sdf" label="Drug SDF file" help="Open Babel is a chemical toolbox designed to speak the many languages of chemical data. To convert SDF file to Protein Data Bank (PDB) format describing the three-dimensional structures of molecules."/>
  </inputs>
  <command>(obabel -i sdf $ligand_sdf -o pdb -O $ligand_pdb) &amp;>/dev/null </command>
  <outputs>
    <data name="ligand_pdb" format="pdb" label="Drug PDB file"/>
  </outputs>
</tool>