Hello Russell-- > > 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.
I don't think I have residue definitions for those groups, but am curious if others do. Anyway, I certainly would be happy to help you get going with these. > > 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, > Are genCircPep.py or genModCircPep.py in the eginput/PSF_generation subdirectory of the Xplor-NIH distribution useful in this regard? If not, I can probably dig up some other examples. best regards-- Charles _______________________________________________ Xplor-nih mailing list Xplor-nih@cake.cit.nih.gov http://cake.cit.nih.gov/mailman/listinfo/xplor-nih
