[phenixbb] is there any phenix utility that can evaluate the Patterson Correlation function between exp and model data?
rjr27 at cam.ac.uk
Tue Jun 21 00:45:04 PDT 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.
On 20 Jun 2011, at 19:02, zhangh1 at umbc.edu 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.
>> On 6/20/11 9:53 AM, Jacob Keller wrote:
>>> I am curious--how did you get model F's without the coordinates?
>>> On Mon, Jun 20, 2011 at 9:52 AM,<zhangh1 at umbc.edu> wrote:
>>>> 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
>>>> implemented in Phenix?
>>>> Thanks a lot!
>>>> phenixbb mailing list
>>>> phenixbb at phenix-online.org
>> phenixbb mailing list
>> phenixbb at phenix-online.org
> phenixbb mailing list
> phenixbb at phenix-online.org
Randy J. Read
Department of Haematology, University of Cambridge
Cambridge Institute for Medical Research Tel: + 44 1223 336500
Wellcome Trust/MRC Building Fax: + 44 1223 336827
Hills Road E-mail: rjr27 at cam.ac.uk
Cambridge CB2 0XY, U.K. www-structmed.cimr.cam.ac.uk
More information about the phenixbb