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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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Set up new version (3.5.2) #295

Closed sobolevnrm closed 2 years ago

sobolevnrm commented 2 years ago

Fixes #292.

Adding @intendo as reviewer but this is a pretty trivial change and I may accept PR tonight, if needed.

codecov[bot] commented 2 years ago

Codecov Report

Merging #295 (190ecfc) into master (3da2e39) will not change coverage. The diff coverage is 100.00%.

Impacted file tree graph

@@           Coverage Diff           @@
##           master     #295   +/-   ##
=======================================
  Coverage   65.29%   65.29%           
=======================================
  Files          30       30           
  Lines        7779     7779           
=======================================
  Hits         5079     5079           
  Misses       2700     2700
Impacted Files Coverage Δ
pdb2pqr/_version.py 100.00% <100.00%> (ø)

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