Thomas Holder
8f8aa29be4
Fix propka --display-coupled-residues
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Fixes https://github.com/jensengroup/propka/issues/105
2020-12-06 17:22:30 +01:00
Nathan Baker
9350799be1
Remove logging abstraction to facilitate debugging and reduce bloat.
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Also performed minor delinting.
Fixes #108
2020-11-29 16:09:45 -08:00
Oliver Beckstein
26a5ab042e
API docs for propka
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- use autosummary (with custom module template)
- updated module docs for all modules so that they are included
with sphinx autodocs
2020-06-19 16:25:24 -07:00
Nathan Baker
ba67f5149d
Replace old-style printf with str.format
2020-05-28 16:10:48 -07:00
Nathan Baker
3266521d31
Replace old formatting with new str.format()
2020-05-27 20:55:44 -07:00
Nathan Baker
6e7c188dbd
Update string formatting to modern version.
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Focuses only on complex formatting.
2020-05-27 16:26:52 -07:00
Nathan Baker
ba8362f514
Clean up line breaks in coupled_groups.py
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See https://github.com/jensengroup/propka-3.1/issues/43 .
2020-05-25 18:09:59 -07:00
Nathan Baker
a534d97016
De-lint groups.py
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I did my best (via Google) to make sure that renamed public members and
methods had minimal impact on others' code.
2020-05-24 11:13:06 -07:00
Nathan Baker
c985e02713
De-lint coupled_groups.py
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Some methods/attributes were changed but were checked in Google to make
sure other codes were not affected.
2020-05-23 17:57:12 -07:00
Nathan Baker
83c54ec153
De-lint conformation_container.py.
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Some public methods/members were changed. These were checked against
Google for obvious use in other packages.
2020-05-23 17:22:18 -07:00
Toni G
5fbbdd4868
Output performed with loggers. Adds options --no-print. ( #12 )
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Output performed with loggers. Adds --quiet and --verbose options.
2016-04-28 23:21:35 -07:00
Oliver Beckstein
b928c18bab
Re-packaged with setuptools for standard installation
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* 'python setup.py install' will install
- a package 'propka' (which contains everything that 'Source' contained
in the original distribution)
- an executable script 'propka31' (which is identical to the original
'propka.py' script but it is automatically generated via the setuptools
mechanism; it uses propka.run.main().
* 'pip install' will also work
* the README.md file was changed to reflect the alterations
* metadata in the setup.py file was added
NOTE: The licence is still unclear!
2013-07-25 11:14:44 -07:00
