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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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Fix handling of multi-model PDB without MODEL 1 #96

Closed speleo3 closed 3 years ago

speleo3 commented 3 years ago

Fixes https://github.com/jensengroup/propka/issues/95

codecov[bot] commented 3 years ago

Codecov Report

Merging #96 (3632f6e) into master (810750c) will increase coverage by 0.00%. The diff coverage is 100.00%.

Impacted file tree graph

@@           Coverage Diff           @@
##           master      #96   +/-   ##
=======================================
  Coverage   72.40%   72.41%           
=======================================
  Files          24       24           
  Lines        4142     4143    +1     
=======================================
+ Hits         2999     3000    +1     
  Misses       1143     1143
Impacted Files Coverage Δ
propka/molecular_container.py 91.30% <100.00%> (+0.07%) :arrow_up:

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