Anyone have any tips or solutions as how to determine a peptide sequence from a drawn structure? "Drawn"as in fully expanded C, H, N, O, S, Se atoms and corresponding bonds, not single/tripple letter code combinations.
I have been using smarts to determine existence of certain AAs, but that only results in number of occurences in the best case. I would like to have as a result single AAs ("fragments", resp. their single letter if natural amino acids). Potentially even determining and sorting after N-terminal to C-terminal if the input wasn't drawn in such a way.
Is that possible?