*** For details on how to be removed from this list visit the ***
*** CCP4 home page http://www.ccp4.ac.uk ***
On Thu, 2005-09-15 at 16:52 -0700, Nat Echols wrote:
> 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.
Without getting into why you would need to do such a thing, there is a
simple solution. When you convert back to MTZ, you can use mtzutils to
combine the Rfree column from your old file with the amplitudes, phases,
or whatever from your newly-converted file. A column from menu A, a
column from menu B.
--
=======================================================================
"He is an emissary of pity and science and progress, and devil knows
what else."- Heart of Darkness, Joseph Conrad
=======================================================================
David J. Schuller
modern man in a post-modern world
MacCHESS, Cornell University
[EMAIL PROTECTED]
