Re: [phenixbb] is there any phenix utility that can evaluate the Patterson Correlation function between exp and model data?

21 Jun 2011


      Is there a particular reason you want to use PC refinement?  In most cases I think it is better to refine against a likelihood target.  I think Frank used it in Rosetta for speed, which is more important when you have hundreds or thousands of trials.

Regards,

Randy Read

On 20 Jun 2011, at 19:02, [email protected] wrote:
...
Yes, this is a coarse-grained model structure factor, and I want to refine
it against Patterson correlation with the exp data.
If there is no direct syntax, any suggestions about which module/file in
the phenix package I should look for will be greatly appreciated!
Best Regards, Hailiang
...
In theory one may have a non-atomic model, say a 3D function defining
the molecular envelop or some other non-atomic representations (Kalinin,
D. I. (1981). Kristallographiya, 25, 535-544.). Fourier transforming
these objects will give you the model structure factors F.
Pavel.
On 6/20/11 9:53 AM, Jacob Keller wrote:
...
I am curious--how did you get model F's without the coordinates?
JPK
On Mon, Jun 20, 2011 at 9:52 AM,  wrote:
...
Hi,
If I only have the experimental and model scattering factors (without
model coordinates), is there any phenix utility that can evaluate the
Patterson Correlation function between exp and model data?
By the way, is the one by FFT as described in
(http://www.nature.com/nature/journal/v473/n7348/full/nature09964.html)
implemented in Phenix?
Thanks a lot!
Hailiang
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------
Randy J. Read
Department of Haematology, University of Cambridge
Cambridge Institute for Medical Research      Tel: + 44 1223 336500
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