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

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merged 3 commits into from
Aug 25, 2020

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JoaoRodrigues
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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 ?

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codecov bot commented Aug 25, 2020

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%) ⬇️

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@joaomcteixeira joaomcteixeira left a comment

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I don't see the relation between this implementation and #70. However, the idea is a good one on its own.
Requeted minor changes, and is good to go; given tests pass 😉
Cheers,

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

Made the changes you requested.

@JoaoRodrigues JoaoRodrigues merged commit 6c720c2 into haddocking:master Aug 25, 2020
@JoaoRodrigues JoaoRodrigues deleted the chain_tools branch August 25, 2020 18:37
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👍

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2 participants