From 2f03a9fad5facb31976d76a0a144f46cd462780b Mon Sep 17 00:00:00 2001
From: Gabriel Studer <gabriel.studer@unibas.ch>
Date: Thu, 4 Aug 2022 15:08:07 +0200
Subject: [PATCH] make warning in AlignToSEQRES more informative, i.e. include
chain name
just for Bienchen ;)
---
modules/seq/alg/pymod/__init__.py | 9 ++++++---
1 file changed, 6 insertions(+), 3 deletions(-)
diff --git a/modules/seq/alg/pymod/__init__.py b/modules/seq/alg/pymod/__init__.py
index 3be1b5845..d0ac795d6 100644
--- a/modules/seq/alg/pymod/__init__.py
+++ b/modules/seq/alg/pymod/__init__.py
@@ -112,9 +112,12 @@ def AlignToSEQRES(chain, seqres, try_resnum_first=False, validate=True):
aln_seq[r1.number.num - 1] = r1.one_letter_code
aligned_resnums.add(r1.number.num)
else:
- LogWarning('Sequence mismatch: chain has "' + r1.one_letter_code +
- '", while SEQRES is "' + seqres[r1.number.num - 1] +
- '" at the corresponding position.')
+ msg = 'Sequence mismatch: chain'
+ if len(view.GetName().strip()):
+ msg += f' ({view.GetName().strip()})'
+ msg += f' has {r1.one_letter_code}, while SEQRES is '
+ msg += f'{seqres[r1.number.num-1]} at the corresponding position.'
+ LogWarning(msg)
try_resnum_first = False
break
else:
--
GitLab