From bb71a41a5774051723809c1b43262fd4415f9628 Mon Sep 17 00:00:00 2001
From: Xavier Robin <xavier.robin@unibas.ch>
Date: Fri, 13 Jan 2023 17:01:20 +0100
Subject: [PATCH] fix: SCHWED-5783 update only if used
---
modules/mol/alg/pymod/ligand_scoring.py | 3 ++-
1 file changed, 2 insertions(+), 1 deletion(-)
diff --git a/modules/mol/alg/pymod/ligand_scoring.py b/modules/mol/alg/pymod/ligand_scoring.py
index 85d0af427..68f9b581d 100644
--- a/modules/mol/alg/pymod/ligand_scoring.py
+++ b/modules/mol/alg/pymod/ligand_scoring.py
@@ -209,7 +209,8 @@ class LigandScorer:
else:
raise RuntimeError("Ligands should be given as Entity or Residue")
- new_editor.UpdateICS()
+ if new_editor is not None:
+ new_editor.UpdateICS()
return extracted_ligands
--
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