[phenixbb] RMSD Dihedrals

Nathaniel Echols NEchols at lbl.gov
Mon Mar 29 17:42:55 PDT 2010

On Mar 29, 2010, at 4:46 PM, J. Fleming wrote:
>   I'm working on a ~3 angstrom structure of a protein with approximately 800 residues.  The structure is mostly helical with interspersed turns.  I've been using Phenix exclusively for the refinements and have a model that I believe to be pretty good with the exception of the dihedrals (see attached).

Actually, what that image says is that your dihedrals are "too good" - for most statistics, the closer to the center the vertices of the polygon are, the better.  (A few, such as average B, don't really have "direction", although if they're outside the normal range, this is sometimes cause for concern.)  I'm a little curious why the dihedrals would end up being restrained so tightly, but the statistics all look excellent, so you needn't worry.

Nathaniel Echols
Lawrence Berkeley Lab
NEchols at lbl.gov

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