[phenixbb] geometry of disulfide and NAG

Li-Zhi Mi mi at idi.harvard.edu
Thu Jan 22 10:42:00 PST 2009

Hi Ralf,
   Thanks very much for the help. I will try that.

On Thu, 2009-01-22 at 10:22 -0800, Ralf W. Grosse-Kunstleve wrote:
> Hi Li-Zhi,
> >    Nigel, as you mentioned, the monomer library only define N2, C7, O7
> > and C8 in the same plane. But just like Ca, C, O, N, Ca' in peptide bond
> > need to be in the same plane, all these five atoms (C8, C7, O, N and C2)
> > should be in the same plane. May I give a temporary name for NAG and
> > provide corresponding cif file in the refinement? 
> You can copy the NAG.cif file, make modifications, and add it to the
> phenix.refine command line. The modified file will override the standard
> file from the mon_lib directory.
> I.e. you don't have to change the residue name.
> But you can change the file name for clarity if you like, e.g. to
> NAG_customized.cif.
> Ralf
> _______________________________________________
> phenixbb mailing list
> phenixbb at phenix-online.org
> http://www.phenix-online.org/mailman/listinfo/phenixbb

More information about the phenixbb mailing list