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Missing N or O in AMD Group: Keep going #114

Merged
merged 1 commit into from
Dec 13, 2020
Merged

Missing N or O in AMD Group: Keep going #114

merged 1 commit into from
Dec 13, 2020

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speleo3
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@speleo3 speleo3 commented Dec 7, 2020

Print a warning but don't fail if the N or O atoms are missing in an amide group.

Not sure if this is the best solution, but it's consistent with how other groups handle missing atoms (COOGroup, HISGroup).

Closes #17

Print a warning but don't fail if the N or O atoms are missing in an
amide group. This is consistent with how other groups handle missing
atoms.

Closes #17
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codecov bot commented Dec 7, 2020

Codecov Report

Merging #114 (c68271d) into master (3937cb1) will decrease coverage by 0.04%.
The diff coverage is 25.00%.

Impacted file tree graph

@@            Coverage Diff             @@
##           master     #114      +/-   ##
==========================================
- Coverage   73.09%   73.04%   -0.05%     
==========================================
  Files          24       24              
  Lines        3958     3962       +4     
==========================================
+ Hits         2893     2894       +1     
- Misses       1065     1068       +3     
Impacted Files Coverage Δ
propka/group.py 76.97% <25.00%> (-0.29%) ⬇️

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Getting error with PDB 1A6W
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