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Outdated suggestions cannot be applied.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.
In the monomer library, the link SS (not disulf) is defined for any peptide residues having the "SG" atom. This is dangerous, because accidental SS links can be made.
In the current library, there are 77 peptide monomers having SG atom, but only
03Y CG6 CYS DCY LE1 LEIare SS-linkable (others have C-S-C bonds for example).I checked the "disulfide" connections from mmcif headers of the pdb entries including these monomers (apart from CYS), and found the following patterns. The DCY-DCY link is already defined as "Ddisul".