Lanthipeptide and recon multistate design update #263
+233
−401
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Outdated suggestions cannot be applied.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.
Modifications to lanthionine ring parameters to more accurately model the sidechain torsions and the methyl placement for methyllanthionine. Additionally, the recon multistate design code is updated to allow for design with NCAA by switching from a single letter code sequence stored in a string to a vector1 of strings that store the base name of the residue.