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Verified Commit 81e99d83 authored by Xavier Robin's avatar Xavier Robin
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ligand scoring: add partial binding site enumation to action

parent eab69792
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......@@ -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,
......
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