Electrostatics / pdb2pqr

PDB2PQR - determining titration states, adding missing atoms, and assigning charges/radii to biomolecules.
http://www.poissonboltzmann.org/
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Remove-non functional psize command line code. #272

Closed sobolevnrm closed 2 years ago

sobolevnrm commented 2 years ago

Closes #181.

codecov[bot] commented 2 years ago

Codecov Report

Merging #272 (2a7a740) into master (f23c0e6) will increase coverage by 0.05%. The diff coverage is 100.00%.

Impacted file tree graph

@@            Coverage Diff             @@
##           master     #272      +/-   ##
==========================================
+ Coverage   64.38%   64.44%   +0.05%     
==========================================
  Files          30       30              
  Lines        7767     7766       -1     
==========================================
+ Hits         5001     5005       +4     
+ Misses       2766     2761       -5     
Impacted Files Coverage Δ
pdb2pqr/psize.py 57.02% <ø> (+0.82%) :arrow_up:
pdb2pqr/main.py 79.44% <100.00%> (+0.34%) :arrow_up:

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