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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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Document additional module constants. #168

Closed sobolevnrm closed 3 years ago

sobolevnrm commented 3 years ago

Sorry @intendo -- while refactoring our console scripts, I found a few more instances of constants that needed improved documentation.

codecov-io commented 3 years ago

Codecov Report

Merging #168 (36ca581) into master (e653ed2) will not change coverage. The diff coverage is n/a.

Impacted file tree graph

@@           Coverage Diff           @@
##           master     #168   +/-   ##
=======================================
  Coverage   63.35%   63.35%           
=======================================
  Files          30       30           
  Lines        8042     8042           
=======================================
  Hits         5095     5095           
  Misses       2947     2947
Impacted Files Coverage Δ
pdb2pqr/__init__.py 76.92% <ø> (ø)
pdb2pqr/hydrogens/__init__.py 42.18% <ø> (ø)
pdb2pqr/ligand/__init__.py 100.00% <ø> (ø)

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