From 86b50a8fb067252cd74b9c57d5d1257c2e937efb Mon Sep 17 00:00:00 2001
From: Gabriel Studer <gabriel.studer@unibas.ch>
Date: Thu, 1 Jun 2023 09:43:34 +0200
Subject: [PATCH] bugfix: set custom mappings in Scorer object did not work

---
 modules/mol/alg/pymod/scoring.py | 1 +
 1 file changed, 1 insertion(+)

diff --git a/modules/mol/alg/pymod/scoring.py b/modules/mol/alg/pymod/scoring.py
index 26633216a..3ccecfd23 100644
--- a/modules/mol/alg/pymod/scoring.py
+++ b/modules/mol/alg/pymod/scoring.py
@@ -1702,6 +1702,7 @@ class Scorer:
 
         self._mapping = chain_mapping.MappingResult(chain_mapper.target, mdl,
                                                     chain_mapper.chem_groups,
+                                                    chem_mapping,
                                                     final_mapping, alns)
 
     def _compute_tmscore(self):
-- 
GitLab