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haddocking / pdb-tools

A dependency-free cross-platform swiss army knife for PDB files.
https://haddocking.github.io/pdb-tools/
Apache License 2.0
372 stars 113 forks source link

Adds tool pdb_chainbows to sequentially assign chain identifiers #81

Closed JoaoRodrigues closed 3 years ago

JoaoRodrigues commented 3 years ago

Tool adds chain identifiers sequentially (ABC..abc...012..) based on existing TER records in the file. Addresses the second part of #70.

codecov[bot] commented 3 years ago

Codecov Report

Merging #81 into master will increase coverage by 0.09%. The diff coverage is 87.30%.

Impacted file tree graph

@@            Coverage Diff             @@
##           master      #81      +/-   ##
==========================================
+ Coverage   82.09%   82.18%   +0.09%     
==========================================
  Files          45       46       +1     
  Lines        3574     3637      +63     
  Branches      748      758      +10     
==========================================
+ Hits         2934     2989      +55     
- Misses        451      458       +7     
- Partials      189      190       +1
Impacted Files Coverage Δ
pdbtools/pdb_chainbows.py 87.30% <87.30%> (ø)

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JoaoRodrigues commented 3 years ago

Over to you @joaomcteixeira !

JoaoRodrigues commented 3 years ago

We should merge the pdb_tidy fix first and then this one, just to keep the versions cleaner. Done.

JoaoRodrigues commented 3 years ago

Alright, thanks guys!