Mercurial > repos > bitlab > plidflow
comparison PLIDflow/vina_plidflow.xml @ 0:6fcfa4756040 draft
Uploaded
| author | bitlab |
|---|---|
| date | Tue, 14 Jan 2020 06:09:42 -0500 |
| parents | |
| children |
comparison
equal
deleted
inserted
replaced
| -1:000000000000 | 0:6fcfa4756040 |
|---|---|
| 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> |