From c7f4ab17e5caa68f81798925a55c6f52d838f3f6 Mon Sep 17 00:00:00 2001
From: Xavier Robin <xavier.robin@unibas.ch>
Date: Mon, 17 Jun 2024 16:04:20 +0200
Subject: [PATCH] fix: set type of newly created chain
---
modules/mol/alg/pymod/ligand_scoring_base.py | 2 ++
1 file changed, 2 insertions(+)
diff --git a/modules/mol/alg/pymod/ligand_scoring_base.py b/modules/mol/alg/pymod/ligand_scoring_base.py
index 4cd4bb588..7a38e4d3b 100644
--- a/modules/mol/alg/pymod/ligand_scoring_base.py
+++ b/modules/mol/alg/pymod/ligand_scoring_base.py
@@ -777,6 +777,8 @@ class LigandScorer:
new_chain = new_entity.FindChain(residue.chain.name)
if not new_chain.IsValid():
new_chain = new_editor.InsertChain(residue.chain.name)
+ new_editor.SetChainType(new_chain,
+ mol.ChainType.CHAINTYPE_NON_POLY)
else:
# Does a residue with the same name already exist?
already_exists = new_chain.FindResidue(residue.number).IsValid()
--
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