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Fixed chem_shifts_by_residue().
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smelandr committed Jan 6, 2017
1 parent eb666c7 commit dc281e4
Showing 1 changed file with 1 addition and 1 deletion.
2 changes: 1 addition & 1 deletion nmrstarlib/nmrstarlib.py
Original file line number Diff line number Diff line change
Expand Up @@ -448,7 +448,7 @@ def chem_shifts_by_residue(self, aminoacids=None, atoms=None, nmrstarversion="3"

if aminoacids:
for chemshifts_dict in chains:
for aa in chemshifts_dict.values():
for aa in list(chemshifts_dict.values()):
if aa["AA3Code"].upper() not in aminoacids:
chemshifts_dict.pop(aa["Seq_ID"])

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