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Author:
propkatraj AUTHORS
License:
GNU GENERAL PUBLIC LICENSE
Version 2, June 1991
Copyright (C) 1989, 1991 Free Software Foundation, Inc.,
51 Franklin Street, Fifth Floor, Bost...
Summary:
Obtain pKas for titreatable residues from a simulation trajectory.
Latest version:
2.0.2
Required dependencies:
mdanalysis
|
numpy
|
pandas
|
propka
|
setuptools
Optional dependencies:
mdanalysistests
|
pytest
|
pytest-cov
|
pytest-xdist
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