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

[Pavel Afonine]

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,<zhangh1 at umbc.edu>  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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>
>