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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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Remove excessive warnings about tetrahedral hydrogens. #265

Closed sobolevnrm closed 2 years ago

sobolevnrm commented 2 years ago

Fixes #253.

codecov[bot] commented 2 years ago

Codecov Report

Merging #265 (da39682) into master (77a4731) will increase coverage by 0.00%. The diff coverage is 100.00%.

Impacted file tree graph

@@           Coverage Diff           @@
##           master     #265   +/-   ##
=======================================
  Coverage   64.07%   64.08%           
=======================================
  Files          30       30           
  Lines        7753     7755    +2     
=======================================
+ Hits         4968     4970    +2     
  Misses       2785     2785
Impacted Files Coverage Δ
pdb2pqr/config.py 100.00% <ø> (ø)
pdb2pqr/biomolecule.py 70.38% <100.00%> (+0.08%) :arrow_up:

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