Mercurial > repos > bitlab > plidflow
view PLIDflow/vina_plidflow.xml @ 0:6fcfa4756040 draft
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author | bitlab |
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date | Tue, 14 Jan 2020 06:09:42 -0500 |
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<tool id="vina_plidflow" name="PLIDflow: Vina"> <description>is an open-source program for doing molecular docking.</description> <inputs> <param name="configvina" type="data" format="csv" label="Config Vina File" help="Vina uses the same PDBQT molecular structure file format used by AutoDock for binding mode predictions."/> </inputs> <command>${__tool_directory__}/scripts/vinaoutpututility.sh $outfile $outlog $configvina ; vina --config $configvina</command> <outputs> <data name="outfile" format="csv" label="PDB out"/> <data name="outlog" format="csv" label="OUt log"/> </outputs> </tool>