Re: [ccp4bb]: Q: how to convert CNS density modified file to mtz for arp/warp?

[Timo Niedenzu <tmnz@chemie.fu-berlin.de>]

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> Woo Cheol Lee wrote:
> >
> > ***  For details on how to be removed from this list visit the  ***
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> >
> > Dear CCP4BB readers,
> >
> > I tried SAD phasing by CNS and, as the density modifed map
> > revealed some secondary structures of the protein, now I want
> > to try Arp/Warp to refine the experimental phase. How can I
> > convert a reflection file of FOM and 4 HL coefficients to an
> > mtz file of SIGMA and PHI columns without any loss of the
> > phase information?
> >
> > Many thanks in advance...
> >
> > Woo-Cheol Lee
> > graduate student
> > U. Tokyo
>
On Tue, 27 Nov 2001, Eleanor J. Dodson wrote:
>
> You simply cant..
> But before doing that you should do some density modification - either
> DM or SOLVE which will both give you PHI ands FOM for the corrected
> phases.
> Use mtzutils to convert the CNS output to an mtz file
> Eleanor
>

If you just want to calculate phases/foms from HL coefficients without
density modification, run "combine.inp" in CNS, then import to CCP4 using
mtzutils.

Timo
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Timo Niedenzu                               email: tmnz@chemie.fu-berlin.de
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