Mercurial > repos > bitlab > plidflow
view PLIDflow/vina_plidflow.xml @ 6:795e11fac81b draft default tip
Included new tools for standardization
author | bitlab |
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date | Wed, 22 Apr 2020 06:12:00 -0400 |
parents | 6fcfa4756040 |
children |
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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>