diff --git a/modules/mol/alg/pymod/ligand_scoring.py b/modules/mol/alg/pymod/ligand_scoring.py index 602cd076fe03573aab0a2ef6851594900e455646..2a670f694bddb028d860c3222b5e9230cbb42452 100644 --- a/modules/mol/alg/pymod/ligand_scoring.py +++ b/modules/mol/alg/pymod/ligand_scoring.py @@ -76,8 +76,8 @@ class LigandScorer: expressed as the fraction of atoms of the model ligand atoms covered in the target. Higher coverage matches are prioritized, but a match with a better score will be preferred if it falls within a window of `coverage_delta` - (by default 0.05) of a worse-scoring match. As a result, for instance, - with a delta of 0.05, a low-score match with coverage 0.96 would be + (by default 0.2) of a worse-scoring match. As a result, for instance, + with a delta of 0.2, a low-score match with coverage 0.96 would be preferred to a high-score match with coverage 0.90. Assumptions: @@ -256,7 +256,7 @@ class LigandScorer: resnum_alignments=False, check_resnames=True, rename_ligand_chain=False, chain_mapper=None, substructure_match=False, - coverage_delta=0.05, + coverage_delta=0.2, radius=4.0, lddt_pli_radius=6.0, lddt_lp_radius=10.0, binding_sites_topn=100000, global_chain_mapping=False, rmsd_assignment=False, n_max_naive=12,