diff --git a/actions/ost-compare-ligand-structures b/actions/ost-compare-ligand-structures index ca70acf32ff8f832e7d0f11378a33b9f338727c1..4b7be0de003b40974680dfbcca458b6f4a67b4f4 100644 --- a/actions/ost-compare-ligand-structures +++ b/actions/ost-compare-ligand-structures @@ -223,6 +223,13 @@ def _ParseArgs(): "is the chain name in reference and value is the chain name in " "model. Only has an effect if global-chain-mapping flag is set.")) + parser.add_argument( + "-fbs", + "--full-bs-search", + default=False, + dest="full_bs_search", + help=("Enumerate all potential binding sites in the model.")) + parser.add_argument( "-ra", "--rmsd-assignment", @@ -457,6 +464,7 @@ def _Process(model, model_ligands, reference, reference_ligands, args): substructure_match=args.substructure_match, coverage_delta=args.coverage_delta, global_chain_mapping=args.global_chain_mapping, + full_bs_search=args.full_bs_search, rmsd_assignment=args.rmsd_assignment, unassigned=args.unassigned, radius=args.radius,