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

zhangh1 at umbc.edu zhangh1 at umbc.edu
Mon Jun 20 11:02:43 PDT 2011


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,<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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>>>
>>
>>
>
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