[ccp4bb]: cns to mtz conversion

[Tom Lee <tomlee@msg.ucsf.edu>]

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Hi,

I solved MAD phases by CNS.  The output reflection file contains
amplitudes, centoid phases, FOM, and HL coefficients of the reference
wavelength (low remote) data set.  The map produced by density modification
in CNS showed clear features of secondary structure.  However, most of the
side chains are missing.  I'd like to try other refinement/modification
programs outside CNS -- Resolve, SHARP, wARP, etc.  All of these
softwares require F, PHIB, FOM, sometimes HL's.  I have no problem
converting the reflection file into mtz format using f2mtz.  However,
unlike ccp4, CNS keeps F(+) and F(-) in separate HKL records, and the
phases, FOM, and HL's are also different between the mates.  Therefore, I
need to find a way to merge the friedel pairs.  I can probably average the
F(+) and F(-).  But how to deal with the rest parameters?  To make it
harder, CNS actually stores the reflections in a sorted way where the pairs
are not next to each other and the distances between the pairs vary too!
I believe many of you have met this problem.  What is the best way to solve
it?  Does anybody have a script for doing this?  My spacegroup is p21.

Thanks a lot.

Tom