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,
-- 
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