From ef0db11a86b5ace32ed9f11e0b720c2bdfbcccab Mon Sep 17 00:00:00 2001
From: Gabriel Studer <gabriel.studer@unibas.ch>
Date: Fri, 25 Apr 2025 18:16:34 +0200
Subject: [PATCH] GetAFMMapping: bugfix
---
modules/mol/alg/pymod/chain_mapping.py | 6 +++---
1 file changed, 3 insertions(+), 3 deletions(-)
diff --git a/modules/mol/alg/pymod/chain_mapping.py b/modules/mol/alg/pymod/chain_mapping.py
index 6cb75cf2..3e7e2522 100644
--- a/modules/mol/alg/pymod/chain_mapping.py
+++ b/modules/mol/alg/pymod/chain_mapping.py
@@ -1397,9 +1397,9 @@ class ChainMapper:
# one entry for each possible assignment
# (<squared_distance>, <ref_ch>, <mdl_ch>)
tmp = list()
- for ref_chains, mdl_chains in zip(self.chem_groups, chem_mapping):
- for ref_ch in ref_chains:
- for mdl_ch in mdl_chains:
+ for a, b in zip(self.chem_groups, chem_mapping):
+ for ref_ch in a:
+ for mdl_ch in b:
d = geom.Length2(ref_centers[ref_ch]-t_mdl_centers[mdl_ch])
tmp.append((d, ref_ch, mdl_ch))
tmp.sort()
--
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