ccp4i
Reflection Data Utilities
Convert to/modify/extend MTZ
Input reflection file is in XPLOR/CNS format etc
Fortran format (7X,3I5,6X,E12.4,7X,E12.4,6X,I2) Skip first 6 lines (if
######### is part of the .cv file)
[I think, I have counted the space before the INDEx for example giving
me 7X; basically it's a question of counting the characters in the INDEx
records]
HTH,
Fred.
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>
