Re: [ccp4bb]: Trouble using CAD to append SIGFP and Rfree columnsto SHARP solvent-flattened mtz file

["S. Ravichandran" <ravi@cmb2.saha.ernet.in>]

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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  
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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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| S.Ravichandran                              e-mail:-                |
| Crystallography &                           ravi@cmb2.saha.ernet.in |
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| Saha Institute of Nuclear Physics                                   |
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