meeko

The Python package meeko is a new type of package developped in the Forli lab also at the Center for Computational Structural Biology (CCSB). It provides tools covering other docking aspects not handled by the ADFR software suite.

Related information: https://autodock-vina.readthedocs.io/en/latest/docking_basic.html

Typical usage

$ module add meeko
$ mk_prepare_ligand.py -i 1iep_ligand.sdf -o 1iep_ligand.pdbqt