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

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:

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I am curious--how did you get model F's without the coordinates?

JPK

On Mon, Jun 20, 2011 at 9:52 AM, wrote:

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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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