ligand_docking Directory Reference

Directory dependency graph for ligand_docking:

Files
file	arls.py [code]
file	arls_impl.py [code]
file	assign_charges.py [code]
file	best_ifaceE.py [code]
file	extract_atomtree_diffs.cc [code]
file	get_scores.py [code]
file	ligand_dock.cc [code]
file	ligand_rpkmin.cc [code]
	Repack and minimize sidechains. For preparing structures prior to ligand docking.
file	pdb_to_molfile.py [code]
file	prune_atdiff_top5pct.py [code]
file	select_best_unique_ligand_poses.cc [code]