[phenixbb] is there any phenix utility that can evaluate the Patterson Correlation function between exp and model data?
pafonine at lbl.gov
Mon Jun 20 10:23:52 PDT 2011
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!
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>> phenixbb at phenix-online.org
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