SCALEPACK unit cell params

Martyn Winn m.d.winn at nospamdl.ac.uk
Mon Jan 5 05:07:31 EST 1998


CS Raman wrote:
> 
> Well, it is always a good idea to extract the refined unit
> cell params (at the end of mosaicity refinement) from scalepack
> output and paste it to the foo.hkl file.  I don't know about
> plans on fixing this problem, but, if you don't do this,
> then certain programs in CCP4 will use the wrong params
> in calculations.  It is only a minor inconvenience.
> 
> Cheers
> -raman

Just for information ....
Since version 3.2, CCP4 has had a program SCALEPACK2MTZ and since
version 3.3 this has included a CELL keyword for inputting the
refined cell parameters, and overriding the ones in the file.

Martyn




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