From e9efd0e98e92dfb55d8c27ba558029e523c891b7 Mon Sep 17 00:00:00 2001
From: Gabriel Studer <gabriel.studer@unibas.ch>
Date: Fri, 25 Apr 2025 15:59:10 +0200
Subject: [PATCH] GetAFMMapping: bugfix
---
modules/mol/alg/pymod/chain_mapping.py | 2 +-
1 file changed, 1 insertion(+), 1 deletion(-)
diff --git a/modules/mol/alg/pymod/chain_mapping.py b/modules/mol/alg/pymod/chain_mapping.py
index e32615eb..6cb75cf2 100644
--- a/modules/mol/alg/pymod/chain_mapping.py
+++ b/modules/mol/alg/pymod/chain_mapping.py
@@ -1421,7 +1421,7 @@ class ChainMapper:
# derive rmsd from the distance difference between
# the centroid pairs in reference and model
ref_p = [ref_centers[k] for k in mapping.keys()]
- mdl_p = [mdl_centers[v] for v in mapping.values()]
+ mdl_p = [t_mdl_centers[v] for v in mapping.values()]
ref_d = geom.Distance(ref_p[0], ref_p[1])
mdl_d = geom.Distance(mdl_p[0], mdl_p[1])
# compute RMSD when placing pair of coordinates with smaller
--
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