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
|