[phenixbb] feature suggestion: B-sharp
eozkan at stanford.edu
Fri Jan 23 15:03:17 PST 2009
Not personally. Two people in the lab have done it and are significantly
benefiting (and I cannot volunteer their datasets, since the structures
are not finished or published yet). However, you can probably get from
the pdb database the Delabarre and Brunger data for p97/VCP at 4.4 A
(PDB ID: 1YQ0) as explained in Acta Cryst D 62 p. 923. It is implemented
in CNS following this paper.
Among our lab people the two cases where it really worked were both 3.5
A datasets with experimental phasing (as the Brunger papers also point
out to), and in cases without experimental phasing, I have not seen much
improvement. The magical values in one case was -100 A^2, and in the
other -50 to -100 (For the published Brunger data, it was -120).
Pavel Afonine wrote:
> Hi Engin,
> yes, it is in the list of things to do.
> Do you have a specific example of where B-factor sharpening really
> helps (data, model, and the magic value for B-sharp) that I can use as
> a reference?
> On 1/23/2009 1:43 PM, Engin Ozkan wrote:
>> I know this has been asked before, and there are ways around to get
>> this done in Autosol or Xtriage, but a sharpening B-factor for low
>> resolution maps would be a very nice addition to phenix.refine. Are
>> there any plans to add a parameter in phenix.refine for this?
>> phenixbb mailing list
>> phenixbb at phenix-online.org
More information about the phenixbb