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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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Add more broken backbone tests #281

Closed sobolevnrm closed 2 years ago

sobolevnrm commented 2 years ago

Adds structures from #36 that failed tests due to broken backbone atoms.

Closes #277.

codecov[bot] commented 2 years ago

Codecov Report

Merging #281 (fd7ca31) into master (012ab94) will increase coverage by 0.12%. The diff coverage is n/a.

Impacted file tree graph

@@            Coverage Diff             @@
##           master     #281      +/-   ##
==========================================
+ Coverage   64.85%   64.98%   +0.12%     
==========================================
  Files          30       30              
  Lines        7774     7774              
==========================================
+ Hits         5042     5052      +10     
+ Misses       2732     2722      -10
Impacted Files Coverage Δ
pdb2pqr/biomolecule.py 74.22% <0.00%> (+1.40%) :arrow_up:

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