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Re: [ccp4bb]: Trouble using CAD to append SIGFP and Rfree columnsto SHARP solvent-flattened mtz file
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On Wed, 23 Feb 2000, Melissa EDELING wrote:
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> Dear all
>
> I'm having trouble appending a SIGFP and Rfree column to my
> solvent-flattened SHARP.mtz file. Although the data is present in the
> input mtz file, CAD writes out zeros in place of SIGF/Rfree. It's as if it
> has trouble reading this mtz file that has been output from sharp, but
> then again mtzdump works alright...
>
> Any ideas?
> Thanks
> Melissa
>
>
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> Melissa Edeling m.edeling@mailbox.uq.edu.au
> PhD Student Tel: +61 7 3365 4941
> THE INSTITUTE FOR MOLECULAR BIOSCIENCE Fax: +61 7 3365 1990
> incorporating
> The Centre for Drug Design and Development
> The Centre for Molecular and Cellular Biology
> ARC Special Research Centre for Functional and Applied Genomics
> The University of Queensland
> Brisbane, Queensland, 4072, Australia
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Hi,
Make sure about the 'column' and 'program' labels, which you have
used, while appending.
For example,
cad hklin1 Main_file.mtz \
hklin2 File_labels_toappend.mtz \
hklout Output_file.mtz \
<<end_ip
LABI FILE 1 ALL
#
# Put your Coloumn labels here properly
# If your SIGFP=SIGF and FREE=FreeR_flag
# then you should have....
#
LABI FILE 2 E1=SIGF E2=FreeR_flag
#
# Put your space group here
#
OUTLIM SPACEGROUP P6122
END
end_ip
Hope this helps,
Ravi.
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