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[ccp4bb]: [ccp4bb] atomic coordinates question

To: "P.J.Briggs" <P.J.Briggs@dl.ac.uk>
Subject: [ccp4bb]: [ccp4bb] atomic coordinates question
From: anastasia vaia <vaia@students.uiuc.edu>
Date: Mon, 16 Sep 2002 03:36:05 -0500 (CDT)
cc: ccp4bb <ccp4bb@dl.ac.uk>
In-Reply-To: <Pine.SGI.4.21.0209160813170.291567-100000@dlpx1.dl.ac.uk>
Sender: owner-ccp4bb@dl.ac.uk

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Hello,

I am currently working on single crystal structure determination porblem.
I have SHELX data (F^2, sigf^2, etc) of good resolution (~1.2A).
I have a method for calculating the phases, but I am unable to calculate
the atomic coordinates from the calculated phases.
CCP4's fft requires data for F and not F^2. Is there any software
available that for a given set of reflections, F^2, and calculated phases
can calculate the atomic coordinates?
Any help would be appreciated.
Thank you for your time.

Anastasia Vaia

References:
- Re: [ccp4bb]: arp/warp question
  - From: "P.J.Briggs" <P.J.Briggs@dl.ac.uk>

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