diff --git a/modules/mol/alg/pymod/ligand_scoring_lddtpli.py b/modules/mol/alg/pymod/ligand_scoring_lddtpli.py index 2e32431ccad1562c1c5323952625fcf02c8196a7..467066471a480227480f98f4be4adae065242b22 100644 --- a/modules/mol/alg/pymod/ligand_scoring_lddtpli.py +++ b/modules/mol/alg/pymod/ligand_scoring_lddtpli.py @@ -98,7 +98,7 @@ class LDDTPLIScorer(ligand_scoring_base.LigandScorer): def __init__(self, model, target, model_ligands=None, target_ligands=None, resnum_alignments=False, rename_ligand_chain=False, substructure_match=False, coverage_delta=0.2, - max_symmetries=1e5, lddt_pli_radius=6.0, + max_symmetries=1e4, lddt_pli_radius=6.0, add_mdl_contacts=True, lddt_pli_thresholds = [0.5, 1.0, 2.0, 4.0], lddt_pli_binding_site_radius=None):