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Just to understand, what is your necessity for changing the CNS
reflection file back to MTZ each time?
If you have to do it, I think the TNT example (of splitting the Rfree
and working sets and to later add the final column to the output
reflection file) might be useful.
http://www.ccp4.ac.uk/dist/html/freerunique.html#how_to_convert
Raji
On Sep 15, 2005, at 7:52 PM, Nat Echols wrote:
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I have used MTZ2VARIOUS successfully for CCP4 mtz to CNS reflection
file conversion. This way the CCP4 nomenclature, i.e., flag 0=Rfree
can be maintained even in the output CNS reflection file.
My problem is that the conversion is not bidirectional, and I need to
convert CNS files *back* to MTZ and then use those MTZ files. This is
clumsy but in theory it does exactly what I need - except that f2mtz
does not keep the values in the CNS file - it assumes that test=1 is
the set for Rfree and converts these to 0. (Actually, it converts any
value other than 1 to 0, which gives me a 95% test set.) I have
always used both programs (CNS mainly for omit maps) and thus all of
the CNS scripts I use already have been modified to use test=0.
I solved this by making a copy of my CNS file and converting it to use
the "standard" CNS/XPLOR convention, which f2mtz imports properly.
