Repository navigation
Recognize specialized protein residue names - #93
Merged
Merged
Conversation
Include terminal and disulfide-bonded residue names in `proteinresnames`, and map terminal variants to their base residue for amino acid property selectors. Fix terminal specialization for space-padded PDB atom names and re-read the residue name after specializing histidine protonation so terminal histidines can be specialized correctly. Assisted-by: Claude Opus 5 <noreply@anthropic.com>
Codecov Report✅ All modified and coverable lines are covered by tests. Additional details and impacted files@@ Coverage Diff @@
## master #93 +/- ##
==========================================
+ Coverage 95.24% 95.26% +0.01%
==========================================
Files 16 16
Lines 2231 2238 +7
==========================================
+ Hits 2125 2132 +7
Misses 106 106 ☔ View full report in Codecov by Harness. 🚀 New features to boost your workflow:
|
Member
|
Great, thanks. |
This file contains hidden or bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
Sign up for free
to join this conversation on GitHub.
Already have an account?
Sign in to comment
Add this suggestion to a batch that can be applied as a single commit.This suggestion is invalid because no changes were made to the code.Suggestions cannot be applied while the pull request is closed.Suggestions cannot be applied while viewing a subset of changes.Only one suggestion per line can be applied in a batch.Add this suggestion to a batch that can be applied as a single commit.Applying suggestions on deleted lines is not supported.You must change the existing code in this line in order to create a valid suggestion.Outdated suggestions cannot be applied.This suggestion has been applied or marked resolved.Suggestions cannot be applied from pending reviews.Suggestions cannot be applied on multi-line comments.Suggestions cannot be applied while the pull request is queued to merge.Suggestion cannot be applied right now. Please check back later.
Include terminal and disulfide-bonded residue names in
proteinresnames, and map terminal variants to their base residue for amino acid property selectors.Fix terminal specialization for space-padded PDB atom names and re-read the residue name after specializing histidine protonation so terminal histidines can be specialized correctly.
Assisted-by: Claude Opus 5 noreply@anthropic.com