adfr-suite

AutoDockFR (or ADFR in short) is an open-source program for docking flexible ligands into receptors with selective flexibility. It is distribute as part of the ADFR software suite and implemented using a re-usable software components philosophy.

The official web page: https://ccsb.scripps.edu/adfr/downloads/

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

Typical usage

$ module add adfr-suite
$ prepare_receptor -r 1iep_receptorH.pdb -o 1iep_receptor.pdbqt