Hi All,
I am having problems rotating about the chi angles of an unnatural amino
acid that is in
my structure. I have modified the .cif file as indicated below
_chem_comp_tor.period
HCE chi1 N CA CB CG 175.000 20.000 3
HCE chi2 CA CB CG C4 175.000 20.000 3
HCE chi3 CB CG C4 C9 175.000 20.000 2
If I go into Edit Chi angles mode, Coot recognizes the chi1-3 no problem.
However, if I
rotate the chi1, or chi2 the section towards the backbone rotates and
separates (eg the
peptide bonds on either side break). Is there somewhere else I need to do in
order to
indicate to Coot that this is a amino acid linked into the structure and not a
ligand? Any
help would be appreciated.
