Dear XPlor-NIH Users,
I am writing to request advice on how best to patch unusual chemical moieties to the termini of peptide sequences. For simplicity, I would like to define the moiety as a special type of amino acid and then use a toph.pep file to generate the sequence. I would very grateful if someone was willing to share a few patches for attaching common C-terminus/N-terminus groups (such as a benzyl/Boc groups) so I can have a -not incorrect- starting point from which to build these unusual moieties. Also, I am working with different species of cyclic beta-peptides (not cha!) and have been somewhat successful in figuring out the connectivities/dihedrals/impropers. However, I am clearly reinventing the wheel. Are cyclic/unusual/beta amino acid files (such as cis/trans ACPC) available somewhere? Would anyone be willing to share these as well? Any help is appreciated, Russell Russell W. Driver Research Professor Dept of Chemistry KAIST
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