RE: [ccp4bb]: need estimated error of occupancy

["Frank Vondelft" <Frank.Vondelft@syrrx.com>]

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Shelx is probably the thing you're looking for.  
Have a look at
	http://shelx.uni-ac.gwdg.de/SHELX/#Update%202002
	Q21: How can I obtain real esds on the structural parameters? 

And then enjoy fiddling with it :)

phx.


> -----Original Message-----
> From: Susan Heffron [mailto:sheffron@uci.edu]
> Sent: Tuesday, May 21, 2002 1:58 PM
> To: ccp4bb@dl.ac.uk
> Subject: [ccp4bb]: need estimated error of occupancy
> 
> 
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> ***          CCP4 home page http://www.ccp4.ac.uk         ***
> 
> Hi all.
> 
> We are looking for a method to calculate the "estimated error" for the
> occupancy values of the ions in our protein structure.  The occupancy
> was refined in X-PLOR or CNS.  A reviewer of our paper is requiring an
> "estimated error" of these values.  All suggestions for how 
> to calculate
> this are appreciated.
> 
>                          Sincerely,
>                          Susan
> 
> -- 
> ------------------------------------------------------------------
>         Susan Heffron
> Dept. of Physiology and Biophysics                               
> University of California, Irvine                
>  Irvine, CA  92697-4560   U.S.A.                         
>     phone:  (949) 824-4625
>     FAX:    (949) 824-8540
> ------------------------------------------------------------------
>


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