Hi Tim,
Is it as easy as
reindex hklin a.mtz hklout b.mtz << eof
symm P43212
eof
This will simply (and correctly) reassign the symmetry operations. Is
this what you meant?
Best wishes,
Graeme
On 30 September 2010 10:49, Tim Gruene <[log in to unmask]> wrote:
> Hello,
>
> we are currently preparing a tutorial for a practical from lysozyme data.
> pointless picked the spacegroup P41212 and phaser should show the students that
> P43212 is the correct spacegroup. How do I best change the scala-mtz-file to
> that spacegroup? Can I tell pointless (and eventually rerun scala), or is there
> another program to choose (I would normally use xprep, but I'd like to show the
> students the 'ccp4i-way').
>
> Thanks a lot, Tim
>
> --
> --
> Tim Gruene
> Institut fuer anorganische Chemie
> Tammannstr. 4
> D-37077 Goettingen
>
> phone: +49 (0)551 39 22149
>
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