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[ccp4bb]: rearranging columns - part II



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Dear All,

 > 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.
 >
 > -Fred

I posted this message because I would like to use SOLVE to phase my 
structure.  I already know the positions of my heavy atoms.  I have all of 
my data (3 wavelengths, from 2 isomorphous crystals) merged and scaled into 
one .mtz file, and when I give this to SOLVE, using LABIN to specify the f, 
sigf, dano, sigdano for each wavelength, SOLVE complains, saying that it 
wants f, sigf, dano, sigdano to be the first four columns in the .mtz 
file.  According to the  online manual, 
http://www.solve.lanl.gov/html_solve/manual/formats.html, SOLVE wants an 
...mtz with ONLY f, sigf, dano, sigdano for each wavelength, and not anything 
else!  Somehow, this doesn't seem possible.

I also have separate .mtz's for each wavelength.  In the past, I have used 
solve with scalepack output only, hence the difficulties with .mtz 
files.  Any help would be greatly appreciated.

-Fred