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Re: [ccp4bb]: converting cns to mtz



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Hi ,

The only problem you might find to go from CNS to CCP4, I suppose is to
convert the ASCII cns.hkl file to the ccp4.mtz. 

You can use the ccp4 programm f2mtz using the options
SKIP 
CELL
SYMM
FORMAT
LABO 
CTYPO

You might find problems with  FORMAT. You can use sftools to have the
right format, or just count the letters of a line at  your ascci file.
for example:
format '(7X,3F5.0,6X,2F10.0,7X,F10.0,7X,F10.0)'
represents the following format at your CNS file
INDE     0    0   30 FOBS=  1234.431 SIGMA=   103.126 TEST=         0
 

Regards

Nikos Pinotsis
EMBL-Hamburg Outstation
Notkestr 85, G25A
D-22603 Hamburg


On Thu, 25 Jul 2002 jbosch@biochem.mpg.de wrote:

> ***  For details on how to be removed from this list visit the  ***
> ***          CCP4 home page http://www.ccp4.ac.uk         ***
> 
> Hi everybody,
> 
> I guess one or the other had the same troubles of converting a refined
> model from CNS to something useable for the ccp4 package. 
> Garib, I'm sorry, yes of course I should have used Refmac instead of
> using CNS, but for some reason we started out with CNS - not thinking
> that it was a oneway direction using "mtz_to_cns".
> 
> Is there anybody out there willing to share his or her knowledge ?
> 
> Thank you all for your usefull suggestions.
> 
> Juergen
> 
> 
> 
> Juergen Bosch                                                   
> Max Planck Institute for Biochemistry                          
> Department of Molecular Structural Biology                      
> Am Klopferspitz 18a                                             
> D-82152 Martinsried, Germany
> 
> Tel -49 -89 8578 2648
> Fax -49 -89 8578 2641
> bosch@biochem.mpg.de
> http://www.biochem.mpg.de/
>