From 9e0d29ae18cbdb5a4879262f5f0ab9510f0ea8aa Mon Sep 17 00:00:00 2001
From: Xavier Robin <xavier.robin@unibas.ch>
Date: Thu, 11 Jul 2024 09:36:54 +0200
Subject: [PATCH] fix: pass --full-bs-search to the scorer
---
actions/ost-compare-ligand-structures | 3 ++-
1 file changed, 2 insertions(+), 1 deletion(-)
diff --git a/actions/ost-compare-ligand-structures b/actions/ost-compare-ligand-structures
index b99103782..07a687467 100644
--- a/actions/ost-compare-ligand-structures
+++ b/actions/ost-compare-ligand-structures
@@ -436,7 +436,8 @@ def _SetupSCRMSDScorer(model, model_ligands, reference, reference_ligands, args)
substructure_match = args.substructure_match,
coverage_delta = args.coverage_delta,
bs_radius = args.radius,
- lddt_lp_radius = args.lddt_lp_radius)
+ lddt_lp_radius = args.lddt_lp_radius,
+ full_bs_search = args.full_bs_search)
def _Process(model, model_ligands, reference, reference_ligands, args):
--
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