From eab6979278e95ef03fc7b3b218194c5d2ee1dafd Mon Sep 17 00:00:00 2001
From: Xavier Robin <xavier.robin@unibas.ch>
Date: Wed, 24 Apr 2024 10:43:47 +0200
Subject: [PATCH] ligand scoring: use partial binding site enumeration by
default
---
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 d4fb9d763..72ac15d22 100644
--- a/modules/mol/alg/pymod/ligand_scoring.py
+++ b/modules/mol/alg/pymod/ligand_scoring.py
@@ -274,7 +274,7 @@ class LigandScorer:
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, max_symmetries=1e5,
- custom_mapping=None, unassigned=False, full_bs_search=True):
+ custom_mapping=None, unassigned=False, full_bs_search=False):
if isinstance(model, mol.EntityView):
self.model = mol.CreateEntityFromView(model, False)
--
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