Re: [ccp4bb] twwining operator

2007-05-22 Thread James Irving
Hi Siva, SFCHECK (part of CCP4i) has a very handy option for this. From the command line: % mkdir mydir % sfcheck -f mydata.mtz -po mydir/ -out u -r % gv mydir/sfcheck_.ps (or ghostscript/xpsview/whatever postscript viewer you have) This will generate a number of output files, includin

Re: [ccp4bb] twwining operator

2007-05-21 Thread Phil Jeffrey
Well there are no general twinning operators for a monoclinic space group (e.g. like P3, P4) but there are two special cases which come to mind: * beta=90 in which case the twinning operator is something like (h,-k,-l) - pseudo primitive orthorhombic. * where the monoclinic lattice lengths cons

[ccp4bb] twwining operator

2007-05-21 Thread siva charan
hello I have a data set to 2.4 A, which has space group of *P21 *. From the cumulative intensity distribution graph, indicates that data is twinned . To run the detwin program in ccp4, one has to know the twinning operator. Can anybody help me, how can I get the twinning operator for