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Quoting Nat Echols <[EMAIL PROTECTED]>: > *** For details on how to be removed from this list visit the *** > *** CCP4 home page http://www.ccp4.ac.uk *** > > > > 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. Perhaps I'm missing something, but I believe that if one uses MTZ2VARIOUS to output XPLOR format instead of CNS format, the mtz test=0 flags are all automatically converted to test=1. You'd have to change all your CNS scripts back, but you'd then be able to reimport from CNS format with the expected test=1 flag. Or am I overlooking some horrible drawback to outputting in XPLOR format for use in CNS? -- Michael Strickler, Ph.D. Research Specialist Center for Structural Biology Yale University 260 Whitney Ave, 355C JWG PO Box 208114 New Haven, CT 06520-8114
