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Re: [ccp4bb]: RS au.s again



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Hi Bernhard

If either you or Clemens felt that this list of settings would be of use
to other people, then it is relatively easy to include in the CCP4
documentation in future - could one of you send it to us at
ccp4@ccp4.ac.uk?

Thanks & best wishes

Peter.

On Wed, 31 Jan 2001, Bernhard Rupp wrote:

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> ***    CCP4 home page http://www.dl.ac.uk/CCP/CCP4/main.html    ***
> 
> Dear All :
> 
> recently someone (I think Clemens) sent me kindly an immensely useful
> list regarding grid settings in several ccp4 programs.
> 
> It appears though that at least for #20 SFALL does well using the FFT
> grid and does not need P1 expansion - am I interpreting this list wrong?
> 
> Is there yet a final, authoritative compilation of settings somewhere?
> Would be lovely, although I am soon done trying all 65 sgs.. ;-)
> 
> #  Spacegroup      FFT                           SFALL
> ARP
> #               X      Y       Z           X      Y       Z           X
> Y      Z
> #    C2221    0. 0.5 0. 0.25 0. 1.       0. 1.   0. 1.   0. 1.      0 0.5 0
> 0.5 0 0.5
> ......
> ....
> ...
> Cheers, br
> -----------------------------------------------------------------
> Bernhard Rupp
> Macromolecular Crystallography and Structural Genomics
> LLNL-BBRP L448                               Phone (925) 423-3273
> University of California                     Phax  (925) 424-3130
> Livermore, CA 94551                          email    br@llnl.gov
> URL                                 http://www-structure.llnl.gov
> TB Structural Genomics Consortium  http://www.doe-mbi.ucla.edu/TB
> EU Mirror  http://www.dl.ac.uk/CCP/CCP14/ccp/web-mirrors/llnlrupp
> -----------------------------------------------------------------
> 
> 
> 

--
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Peter J Briggs, pjx@dl.ac.uk   Tel: +44 1925 603455
CCP4,         ccp4@ccp4.ac.uk  Fax: +44 1925 603124
             http://www.dl.ac.uk/CCP/CCP4/main.html
Daresbury Laboratory, Daresbury, Warrington WA4 4AD
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