automating the treatment of seed canonical amino acids

natedey / RINRUS

Residue Interaction Network ResidUe Selector

MIT License

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automating the treatment of seed canonical amino acids #23

Open natedey opened 2 years ago

natedey commented 2 years ago

In the documentation, we have a manual workaround to ensure substrate/seed peptides are not being trimmed by RINRUS. We will want to automate this when possible.

natedey commented 1 year ago

Woops. Looks like if a larger residue is in the seed, it's still sometimes getting its beta carbon frozen. This is a bug. TJ showed this by making TRP143 the seed with COMT PDB:3BWM