[phenixbb] Best practices for modified aminoacids

Schubert, Carsten [JRDUS] CSCHUBER at its.jnj.com
Fri Jul 27 10:43:20 PDT 2012

What are the current best practices for modified aminoacids? I have a
peptide with and N-terminal Acetyl-proline which I am trying to model.
The initial approach was to locate the aminoacid in the chemical
components dictionary (N7P) and replace the residue in coot.
Unfortunately the link to the next residue is not recognized, so the
residue is just floating about. Next I just added an acetyl next to the
proline and added some restraints in the .def file. That sort of works,
but looks a bit cludgy. Is there a way to do this more cleanly?






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