Batch Functionality - Python about autodock-vina HOT 2 CLOSED

Hi OphirGenomica,

Good catch! Indeed I forgot to add a tutorial about the batch docking feature in the documentation..
Briefly, the batch mode can be used by simply replacing the --ligand argument by --batch. Here an example with the AutoDock4 scoring function:

vina --batch pdbqt_ligands/*.pdbqt --maps 1iep_receptor --scoring ad4 --dir pdbqt_docked

with pdbqt_ligand being the directory containing the input PDBQT files and pdbqt_docked where the docking results will be saved. Don't forget to create the pdbqt_docked directory before starting the docking calculations.

from autodock-vina.

Thank you!

from autodock-vina.