From f487c3a6a5c17ec2776668516a82408012577527 Mon Sep 17 00:00:00 2001 From: Gabriel Studer <gabriel.studer@unibas.ch> Date: Fri, 24 May 2024 13:09:45 +0200 Subject: [PATCH] ligand scoring: change def for model_bs_radius param in LigandScorer --- modules/mol/alg/pymod/ligand_scoring.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/modules/mol/alg/pymod/ligand_scoring.py b/modules/mol/alg/pymod/ligand_scoring.py index 2534ee7c4..d4fc8b5bb 100644 --- a/modules/mol/alg/pymod/ligand_scoring.py +++ b/modules/mol/alg/pymod/ligand_scoring.py @@ -254,7 +254,7 @@ class LigandScorer: resnum_alignments=False, check_resnames=True, rename_ligand_chain=False, substructure_match=False, coverage_delta=0.2, radius=4.0, - lddt_pli_radius=6.0, lddt_lp_radius=10.0, model_bs_radius=20, + lddt_pli_radius=6.0, lddt_lp_radius=15.0, model_bs_radius=25, binding_sites_topn=100000, rmsd_assignment=False, n_max_naive=12, max_symmetries=1e5, unassigned=False, full_bs_search=False, -- GitLab