rvanasa commented 4 years ago

Since large ensembles tend to surpass 9999 overall residues, I tweaked pdb_reres so that the numbering scheme will reset between models. Since pdb_reatom already does this for each model, this would also help improve consistency between scripts.

JoaoRodrigues commented 4 years ago

Hi @rvanasa , thanks for the contribution!

Makes sense indeed. Would you mind fixing that flake8 issue that is breaking the tests?

codecov[bot] commented 4 years ago

Codecov Report

Merging #61 into master will decrease coverage by 0.04%. The diff coverage is 33.33%.

@@            Coverage Diff             @@
##           master      #61      +/-   ##
==========================================
- Coverage   81.74%   81.69%   -0.05%     
==========================================
  Files          44       44              
  Lines        3538     3540       +2     
  Branches      743      744       +1     
==========================================
  Hits         2892     2892              
- Misses        456      457       +1     
- Partials      190      191       +1

Impacted Files	Coverage Δ
pdbtools/pdb_reres.py	`85.71% <33.33%> (-1.93%)`	:arrow_down:

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JoaoRodrigues commented 4 years ago

Merged. Thank you again!

haddocking / pdb-tools

Reset residue numbering for each model #61

Codecov Report