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891fecaab3a2d435212316cee7f3990f1e678c93
propka/propka
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Nathan Baker 891fecaab3 Clean up line breaks in determinants.py 
See https://github.com/jensengroup/propka-3.1/issues/43
2020-05-25 18:15:46 -07:00
..
__init__.py
Add newline to end of __init__.py.
2020-05-12 13:51:24 -07:00
atom.py
Clean up line breaks.
2020-05-25 16:42:09 -07:00
bonds.py
Clean up line breaks in bonds.py.
2020-05-25 17:18:57 -07:00
calculations.py
Clean up line breaks in calculations.py
2020-05-25 17:33:16 -07:00
conformation_container.py
Clean up line breaks.
2020-05-25 17:49:52 -07:00
coupled_groups.py
Clean up line breaks in coupled_groups.py
2020-05-25 18:09:59 -07:00
determinant.py
De-lint determinant.py.
2020-05-24 08:21:05 -07:00
determinants.py
Clean up line breaks in determinants.py
2020-05-25 18:15:46 -07:00
group.py
De-lint ligand_pka_values.py
2020-05-24 16:39:59 -07:00
hybrid36.py
De-lint hybrid36.py
2020-05-24 11:21:55 -07:00
iterative.py
De-lint iterative.py.
2020-05-24 12:05:48 -07:00
lib.py
De-lint lib.py.
2020-05-24 15:30:35 -07:00
ligand_pka_values.py
De-lint ligand_pka_values.py
2020-05-24 16:39:59 -07:00
ligand.py
De-lint vector_algebra.py
2020-05-25 13:53:04 -07:00
molecular_container.py
De-lint version.py
2020-05-25 14:35:02 -07:00
output.py
Fix deprecated string syntax.
2020-05-25 11:29:11 -07:00
parameters.py
De-lint parameters.py.
2020-05-25 09:58:51 -07:00
pdb.py
De-lint propka.py.
2020-05-25 11:54:41 -07:00
propka.cfg
De-lint version.py
2020-05-25 14:35:02 -07:00
protein_bonds.json
Load data from JSON rather than pickle.
2020-05-05 11:55:45 -07:00
protonate.py
De-lint vector_algebra.py
2020-05-25 13:53:04 -07:00
run.py
De-lint run.py.
2020-05-25 13:10:55 -07:00
vector_algebra.py
De-lint vector_algebra.py
2020-05-25 13:53:04 -07:00
version.py
De-lint version.py
2020-05-25 14:35:02 -07:00