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Commit 2f03a9fa authored by Studer Gabriel's avatar Studer Gabriel
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make warning in AlignToSEQRES more informative, i.e. include chain name

just for Bienchen ;)
parent 0ad7712a
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...@@ -112,9 +112,12 @@ def AlignToSEQRES(chain, seqres, try_resnum_first=False, validate=True): ...@@ -112,9 +112,12 @@ def AlignToSEQRES(chain, seqres, try_resnum_first=False, validate=True):
aln_seq[r1.number.num - 1] = r1.one_letter_code aln_seq[r1.number.num - 1] = r1.one_letter_code
aligned_resnums.add(r1.number.num) aligned_resnums.add(r1.number.num)
else: else:
LogWarning('Sequence mismatch: chain has "' + r1.one_letter_code + msg = 'Sequence mismatch: chain'
'", while SEQRES is "' + seqres[r1.number.num - 1] + if len(view.GetName().strip()):
'" at the corresponding position.') 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 try_resnum_first = False
break break
else: else:
......
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