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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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Fix problem with missing atoms in RNA. #269

Closed sobolevnrm closed 2 years ago

sobolevnrm commented 2 years ago

Fix problem with missing oxygen atoms in RNA.

Fixes #267.

codecov[bot] commented 2 years ago

Codecov Report

Merging #269 (a43376d) into master (8251b86) will decrease coverage by 0.01%. The diff coverage is 100.00%.

:exclamation: Current head a43376d differs from pull request most recent head 6673aab. Consider uploading reports for the commit 6673aab to get more accurate results Impacted file tree graph

@@            Coverage Diff             @@
##           master     #269      +/-   ##
==========================================
- Coverage   64.34%   64.33%   -0.02%     
==========================================
  Files          30       30              
  Lines        7753     7759       +6     
==========================================
+ Hits         4989     4992       +3     
- Misses       2764     2767       +3
Impacted Files Coverage Δ
pdb2pqr/biomolecule.py 72.13% <100.00%> (-0.19%) :arrow_down:

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