jensengroup / propka

PROPKA predicts the pKa values of ionizable groups in proteins and protein-ligand complexes based in the 3D structure.
http://propka.org
GNU Lesser General Public License v2.1
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use versioneer for version management #88

Closed orbeckst closed 4 years ago

orbeckst commented 4 years ago
codecov[bot] commented 4 years ago

Codecov Report

Merging #88 into master will decrease coverage by 0.00%. The diff coverage is n/a.

Impacted file tree graph

@@            Coverage Diff             @@
##           master      #88      +/-   ##
==========================================
- Coverage   72.40%   72.39%   -0.01%     
==========================================
  Files          25       24       -1     
  Lines        4142     4141       -1     
==========================================
- Hits         2999     2998       -1     
  Misses       1143     1143              

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sobolevnrm commented 4 years ago

@orbeckst - this looks great. Do you want to do the merging honors? :)

orbeckst commented 4 years ago

Sure, happy to :-).