diff --git a/actions/ost-compare-ligand-structures b/actions/ost-compare-ligand-structures index 2cd849c6661493be1207ec4e63a2b694cad1ef77..17a16f229ea6336d4ed4b304e0a17d4de67ac20d 100644 --- a/actions/ost-compare-ligand-structures +++ b/actions/ost-compare-ligand-structures @@ -168,13 +168,20 @@ def _ParseArgs(): action="store_true", help=("Allow incomplete target ligands.")) + parser.add_argument( + "-cd", + "--coverage-delta", + dest="coverage_delta", + default=False, + action="store_true", + help=("Allow incomplete target ligands.")) + parser.add_argument( "-gcm", "--global-chain-mapping", dest="global_chain_mapping", - default=False, - action="store_true", - help=("Use a global chain mapping.")) + default=0.2, + help=("Coverage delta for partial ligand assignment.")) parser.add_argument( "-c", @@ -363,6 +370,7 @@ def _Process(model, model_ligands, reference, reference_ligands, args): check_resnames=args.enforce_consistency, rename_ligand_chain=True, substructure_match=args.substructure_match, + coverage_delta=args.coverage_delta, global_chain_mapping=args.global_chain_mapping, rmsd_assignment=args.rmsd_assignment, unassigned=args.unassigned,