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Dear Demetres,
does this affect all atoms, or only a few selected ones?
Did you compare with refmac5 (for e.g. input script errors), or did
you reset the B-factors to a reasonable value (e.g. 20-30) prior to
refinement? pdbset can do this conveniently.
Best,
Tim
On 11/02/2012 11:06 AM, Demetres D. Leonidas wrote:
> Hello,
>
> I am experiencing a weird problem with B factor refinement
> (individual, isotropic) in phenix.refine (1.8.1.-1168) and a
> structure at 1.9 A resolution. The ADP values after the refinement
> are very very low, less than 2 and sometimes 0. I am getting the
> same result with and without optimization of the X-ray/ADP weight.
> Has anyone else noticed that and is there a workaround ?
>
> Demetres
>
- --
Dr Tim Gruene
Institut fuer anorganische Chemie
Tammannstr. 4
D-37077 Goettingen
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