diff --git a/modules/mol/alg/pymod/chain_mapping.py b/modules/mol/alg/pymod/chain_mapping.py index aa8295fde554c1e2e0598469b4b71ae95fae7c82..c4a017f3dc86f7aadadbf96bfb79c8f551d3dab0 100644 --- a/modules/mol/alg/pymod/chain_mapping.py +++ b/modules/mol/alg/pymod/chain_mapping.py @@ -1243,8 +1243,8 @@ class ChainMapper: If number of chains in model and target are <= *n_max_naive*, a naive QS-score mapping is performed. For anything else, a QS-score mapping - with the greedy_full strategy is performed (steep_opt_rate = None, - block_seed_size = 5, block_blocks_per_chem_group = 6). + with the greedy_full strategy is performed + (greedy_prune_contact_map = True). """ n_trg_chains = len(self.target.chains) res = self.GetChemMapping(model) @@ -1253,9 +1253,8 @@ class ChainMapper: return self.GetQSScoreMapping(model, strategy="naive", chem_mapping_result=res) else: - return self.GetQSScoreMapping(model, strategy="greedy_block", - steep_opt_rate=3, block_seed_size=5, - block_blocks_per_chem_group=6, + return self.GetQSScoreMapping(model, strategy="greedy_full", + greedy_prune_contact_map=True, chem_mapping_result=res) def GetRepr(self, substructure, model, topn=1, inclusion_radius=15.0,