That would tale you half the way there. You then have to apply a reverse Lp correction to get a number within a scale factor (diffraction volume, angular velocity) of an ob servable quantity - assuming that's the goal.
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-----Original Message-----
From: Eleanor Dodson <[log in to unmask]>
Sender: CCP4 bulletin board <[log in to unmask]>
Date: Fri, 13 May 2011 14:03:06
To: <[log in to unmask]>
Reply-To: <[log in to unmask]>
Subject: Re: [ccp4bb] how convert SF to intensities
On 05/12/2011 08:13 PM, Fulvio Saccoccia wrote:
> Dear ccp4 users,
> I need to generate intensities from a model (.pdb). That is, I think that a
> correct procedure could be to convert model to structure factor and then obtain
> intensities squaring the SF.
> Does anyone know how can I do?
>
> Thanks in advance
>
> Fulvio Saccoccia
>
Yes - that will do it.
any refinement program will output FC - use REFMAC with ncycles 0 if you
like.
Then mtzutils or sftools will square the Fc.
Eleanor
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