[phenixbb] geometry in phenix.refine
jzhu at cbr.med.harvard.edu
Thu Feb 21 14:45:07 PST 2008
> the difference is most likely because of H atoms, indeed (deferent
> "ideal" values used by phenix.reduce and Monomer Library that is
> used in
> phenix.refine). In the next version of phenix.refine the geometry of H
> atoms will always be regularized (unless free refinement is
> requested at
> ultra-high resolution), so it will be always consistent with the
> Library definitions.
Why not just the same value to start with?
> Also, I think H atoms should be excluded from geometry statistics
> calculations if riding model is used. I will add this as well.
Then you need to change the geometry statistics output by
phenix.refine when riding H atoms are present.
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