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Merge pull request #112 from jensengroup/fix-105

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Fix `propka --display-coupled-residues`
This commit is contained in:
Thomas Holder
2020-12-06 17:40:49 +01:00
committed by GitHub
parent 31b41c32df 8f8aa29be4
commit 3937cb1467
1 changed files with 1 additions and 1 deletions
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propka/coupled_groups.py
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@@ -183,7 +183,7 @@ class NonCovalentlyCoupledGroups:
'{c.max_pka:>4.2f}\n' '{c.max_pka:>4.2f}\n'
'\n') '\n')
sep = "-" * 103 sep = "-" * 103
_LOGGER.info(info_fmt.format(sep=sep, c=self)) _LOGGER.info(info_fmt.format(sep=sep, c=self.parameters))
# find coupled residues # find coupled residues
titratable_groups = conformation.get_titratable_groups() titratable_groups = conformation.get_titratable_groups()
if not conformation.non_covalently_coupled_groups: if not conformation.non_covalently_coupled_groups: