[phenixbb] PHENIX refine: detached sidechain atoms

Ralf W. Grosse-Kunstleve rwgk at cci.lbl.gov
Thu Jun 24 06:49:38 PDT 2010


Hi Olly,

> I've noticed that when refining a model in phenix.refine using a PDB
> file from Refmac, the sidechain atoms of certain residues become
> detached from the rest of the molecule and appear to float on their own,
> at least when viewing in Coot.
> ...
> but after refinement in phenix it becomes

All the bonds are systematically too long. I'm having trouble understanding
how this can happen. Could you send me (not the list!) the input pdb file
and the phenix.refine log file?

Ralf



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