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Commit 35f0429d authored by Studer Gabriel's avatar Studer Gabriel
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Disallow rnums outside SEQRES range if try_resnum_first in AlignToSEQRES

parent a8319f0b
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Tags 1.8.0
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......@@ -110,6 +110,12 @@ def AlignToSEQRES(chain, seqres, try_resnum_first=False, validate=True):
'" at the corresponding position.')
try_resnum_first = False
break
else:
warning = 'Residue with number %i is outside of the range covered by '\
'SEQRES [1, %i]'%(r1.number.num, len(seqres))
LogWarning(warning)
try_resnum_first = False
break
if not try_resnum_first:
fragments=[residues[0].one_letter_code]
for r1, r2 in zip(residues[:-1], residues[1:]):
......
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