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
>
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