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 <[email protected]> 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 > > > -----BEGIN PGP SIGNATURE----- > Version: GnuPG v1.4.9 (GNU/Linux) > > iD8DBQFMpF00UxlJ7aRr7hoRAlRUAKD4dRIpButVwaXId7Nk1TDGtLcDUACfdn2O > K5uVTF3ZmG1kv+VNbQI05+4= > =YSVm > -----END PGP SIGNATURE----- > >
