Thanks for everyone who replied (and so quickly) The space group can be changed with PROG hklin in.mtz hklout out.mtz << eof symm P43212 eof
where PROG is 'reindex' (Graeme Winter), 'mtzutils' (Eleanor Dodson), 'cad' (Phil Evans, Manfred Weiss), or 'sortmtz' (Manfred Weiss), all of which are also available via the GUI. Tim On Thu, Sep 30, 2010 at 11:49:40AM +0200, Tim Gruene 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 > -- -- 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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