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You could try: convert2mtz -hklin my.cv -mtzout my.mtz -cell 30.0,40.0,50.0,90.0,90.0,90.0 -spacegroup 'P 21 21 21' Marni Williams wrote: > > Hey > > I have a problem with converting a CNS created file in .cv format to > .mtz for use in CCP4. I suspect it is because the Fortran model and the > column labels are incorrect but I have no idea how to fix this. Here are > the first few lines of the .cv <http://the.cv> file: > > ############################################################### > NREFlection= 98435 > ANOMalous=FALSe > DECLare NAME=FOBS DOMAin=RECIprocal TYPE=REAL END > DECLare NAME=SIGMA DOMAin=RECIprocal TYPE=REAL END > DECLare NAME=TEST DOMAin=RECIprocal TYPE=INTE END > INDEx 0 0 2 FOBS= 0.2276E+02 SIGMA= 0.1094E+02 TEST= 0 > INDEx 0 0 3 FOBS= 0.8401E+03 SIGMA= 0.9090E+01 TEST= 0 > INDEx 0 0 4 FOBS= 0.1032E+04 SIGMA= 0.1418E+02 TEST= 0 > ############################################################## > > any advice would be greatly appreciated. > > Regards, > Marni Williams > > > -- > Molecular Parasitology Laboratory > Department of Biochemistry > School of Biological Sciences > Faculty of Natural and Agricultural Sciences > University of Pretoria > Pretoria > South Africa > 0002 > > Tel: +27 12 420 2990 > Fax: +27 12 362 5302 > Email: [log in to unmask] <mailto:[log in to unmask]> > -- EMAIL DISCLAIMER http://www.york.ac.uk/docs/disclaimer/email.htm