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Fixed configuration file path for NMR-STAR2 and NMR-STAR3 assigned ch…
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…emical shifts loop.
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smelandr committed Oct 6, 2016
1 parent 3a3e3a2 commit 67f2afa
Showing 1 changed file with 3 additions and 3 deletions.
6 changes: 3 additions & 3 deletions nmrstarlib/nmrstarlib.py
Original file line number Diff line number Diff line change
Expand Up @@ -395,11 +395,11 @@ def chem_shifts_by_residue(self, aminoacids=None, atoms=None, nmrstarversion="3"
"""
this_directory = os.path.dirname(__file__)
if nmrstarversion == "2":
config_filepath = os.path.join(this_directory, '../conf/constants_nmrstar2.json')
config_filepath = os.path.join(this_directory, 'conf/constants_nmrstar2.json')
elif nmrstarversion == "3":
config_filepath = os.path.join(this_directory, '../conf/constants_nmrstar3.json')
config_filepath = os.path.join(this_directory, 'conf/constants_nmrstar3.json')
else:
config_filepath = os.path.join(this_directory, '../conf/constants_nmrstar3.json')
config_filepath = os.path.join(this_directory, 'conf/constants_nmrstar3.json')
with open(config_filepath, "r") as infile:
update_constants(infile)

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