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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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Close dangling file pointer #237

Closed stefdoerr closed 2 years ago

stefdoerr commented 2 years ago

This closes the file pointer so you do not hit OS issues with too many open file pointers.

codecov-commenter commented 2 years ago

Codecov Report

Merging #237 (d61f137) into master (7df5f1e) will increase coverage by 0.00%. The diff coverage is 100.00%.

:exclamation: Current head d61f137 differs from pull request most recent head 370edcc. Consider uploading reports for the commit 370edcc to get more accurate results Impacted file tree graph

@@           Coverage Diff           @@
##           master     #237   +/-   ##
=======================================
  Coverage   64.22%   64.22%           
=======================================
  Files          30       30           
  Lines        7762     7763    +1     
=======================================
+ Hits         4985     4986    +1     
  Misses       2777     2777
Impacted Files Coverage Δ
pdb2pqr/io.py 77.14% <100.00%> (+0.09%) :arrow_up:

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stefdoerr commented 2 years ago

oh oops, that merged my two PRs together. Sorry for this, I'll start from scratch