Another possibility is with sftools, set spacegroup option
Fred.
PS not in ccp4i
Graeme Winter wrote:
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 <t...@shelx.uni-ac.gwdg.de> 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
GPG Key ID = A46BEE1A
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