Mercurial > repos > bitlab > plidflow
comparison PLIDflow/vina_plidflow.xml @ 6:795e11fac81b draft default tip
Included new tools for standardization
| author | bitlab |
|---|---|
| date | Wed, 22 Apr 2020 06:12:00 -0400 |
| parents | 6fcfa4756040 |
| children |
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| 5:97f12f7cc852 | 6:795e11fac81b |
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| 1 <tool id="vina_plidflow" name="PLIDflow: Vina"> | |
| 2 <description>is an open-source program for doing molecular docking.</description> | |
| 3 <inputs> | |
| 4 <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."/> | |
| 5 </inputs> | |
| 6 <command>${__tool_directory__}/scripts/vinaoutpututility.sh $outfile $outlog $configvina ; vina --config $configvina</command> | |
| 7 <outputs> | |
| 8 <data name="outfile" format="csv" label="PDB out"/> | |
| 9 <data name="outlog" format="csv" label="OUt log"/> | |
| 10 </outputs> | |
| 11 </tool> |