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: ma...@tuks.co.za <mailto:ma...@tuks.co.za>
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