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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
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Added -strict option to pdb_tidy to avoid adding intra-chain TERs #80

Closed JoaoRodrigues closed 3 years ago

JoaoRodrigues commented 3 years ago

Partially addresses the points raised in #70 by adding a -strict option to pdb_tidy that prevents the tool from adding TER records on chain breaks. The default behavior is to add TERs on chain breaks, is this OK @amjjbonvin ?

codecov[bot] commented 3 years ago

Codecov Report

Merging #80 into master will decrease coverage by 0.23%. The diff coverage is 63.33%.

Impacted file tree graph

@@            Coverage Diff             @@
##           master      #80      +/-   ##
==========================================
- Coverage   82.09%   81.85%   -0.24%     
==========================================
  Files          45       45              
  Lines        3574     3594      +20     
  Branches      748      753       +5     
==========================================
+ Hits         2934     2942       +8     
- Misses        451      461      +10     
- Partials      189      191       +2
Impacted Files Coverage Δ
pdbtools/pdb_tidy.py 72.35% <63.33%> (-6.29%) :arrow_down:

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JoaoRodrigues commented 3 years ago

Er... pdb_addter? That we discussed in #70 ? :)

Made the changes you requested.

joaomcteixeira commented 3 years ago

:+1: