search

Electrostatics / pdb2pqr

PDB2PQR - determining titration states, adding missing atoms, and assigning charges/radii to biomolecules.
http://www.poissonboltzmann.org/
Other
117 stars 34 forks source link

Version 3.6.2 release candidate #379

Closed sobolevnrm closed 6 months ago

sobolevnrm commented 6 months ago

Fixes #377

codecov[bot] commented 6 months ago

Codecov Report

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

Comparison is base (611702e) 65.40% compared to head (251981a) 65.40%.

Additional details and impacted files ```diff @@ Coverage Diff @@ ## master #379 +/- ## ======================================= Coverage 65.40% 65.40% ======================================= Files 30 30 Lines 7796 7796 ======================================= Hits 5099 5099 Misses 2697 2697 ```

:umbrella: View full report in Codecov by Sentry.
:loudspeaker: Have feedback on the report? Share it here.

sobolevnrm commented 6 months ago

Preview version of updated docs at https://pdb2pqr.readthedocs.io/en/nathan-378/releases.html.

sobolevnrm commented 6 months ago

@orbeckst or @speleo3 can you review this quickly? Thanks.

sobolevnrm commented 6 months ago

Thanks!