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Re: [ccp4bb]: re-arranging column order?



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Fred Berkovitch wrote:
> Can someone please explain how I would use mtzutils (or any other program)
> to rearrange my columns?  For instance, if column 1=H 2=K 3=L how could I
> rearrange them so that 1=L 2=K 3=H?  If anyone has a script that does a
> similar re-arrangement, would you mind posting it?  Thank you for your help.
> 
I assume you mean columns in an .mtz file. But be aware that
column order is completely irrelevant in an mtz file. The columns
are identified by labels (hence the previous name .lcf for Labeled 
Column Format).

If what you want to do is relabel the columns this can be done with
the COLUMN_LABELS keyword in mtztutils:
http://www.ccp4.ac.uk/dist/html/mtzutils.html#general_column
or the labin/labout commands in cad:
http://www.ccp4.ac.uk/dist/html/cad.html#labin

However for the specific case of reindexing it may be safer
to use a program intended specifically for that- I do this 
in scalepack so I don't know the best CCP4 program to use.