jensengroup / propka

PROPKA predicts the pKa values of ionizable groups in proteins and protein-ligand complexes based in the 3D structure.
http://propka.org
GNU Lesser General Public License v2.1
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Version 3.5.1 release candidate #183

Closed sobolevnrm closed 8 months ago

sobolevnrm commented 8 months ago

Fixes #168

codecov[bot] commented 8 months ago

Codecov Report

All modified and coverable lines are covered by tests :white_check_mark:

Comparison is base (af0fd55) 74.84% compared to head (c9f3fc6) 74.84%.

Additional details and impacted files ```diff @@ Coverage Diff @@ ## master #183 +/- ## ======================================= Coverage 74.84% 74.84% ======================================= Files 25 25 Lines 4118 4118 ======================================= Hits 3082 3082 Misses 1036 1036 ```

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sobolevnrm commented 8 months ago

See https://propka.readthedocs.io/en/nathan-168/ for draft documentation build.

speleo3 commented 8 months ago

Looks good to me.

Disclaimer: My review capabilities are limited until mid January