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Electrostatics / pdb2pqr

PDB2PQR - determining titration states, adding missing atoms, and assigning charges/radii to biomolecules.
http://www.poissonboltzmann.org/
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Nathan/348 #350

Closed sobolevnrm closed 1 year ago

sobolevnrm commented 1 year ago

Fixes #348

codecov[bot] commented 1 year ago

Codecov Report

Patch and project coverage have no change.

Comparison is base (268b8db) 65.39% compared to head (14d66f6) 65.39%.

:exclamation: Current head 14d66f6 differs from pull request most recent head 9c85865. Consider uploading reports for the commit 9c85865 to get more accurate results

Additional details and impacted files ```diff @@ Coverage Diff @@ ## master #350 +/- ## ======================================= Coverage 65.39% 65.39% ======================================= Files 30 30 Lines 7789 7789 ======================================= Hits 5094 5094 Misses 2695 2695 ``` Help us with your feedback. Take ten seconds to tell us [how you rate us](https://about.codecov.io/nps?utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=Electrostatics). Have a feature suggestion? [Share it here.](https://app.codecov.io/gh/feedback/?utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=Electrostatics)

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sobolevnrm commented 1 year ago

Minor documentation update -- merging without review.