From 75feebfb9c8321515d89197119b0308805a80154 Mon Sep 17 00:00:00 2001
From: Xavier Robin <xavier.robin@unibas.ch>
Date: Fri, 21 Feb 2025 11:20:50 +0100
Subject: [PATCH] fix full nucleic backbone atom names
This fixes an issue scoring PDB entry 8Q60 against itself but needs to
be reviewed (see SCHWED-6487).
---
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 e9bab9736..9347d3161 100644
--- a/modules/mol/alg/pymod/chain_mapping.py
+++ b/modules/mol/alg/pymod/chain_mapping.py
@@ -433,7 +433,7 @@ class ReprResult:
""" Helper to extract full backbone positions
"""
exp_pep_atoms = ["N", "CA", "C"]
- exp_nuc_atoms = ["\"O5'\"", "\"C5'\"", "\"C4'\"", "\"C3'\"", "\"O3'\""]
+ exp_nuc_atoms = ["O5'", "C5'", "C4'", "C3'", "O3'"]
bb_pos = geom.Vec3List()
for r in residues:
if r.GetChemType() == mol.ChemType.NUCLEOTIDES:
--
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