Re: [ccp4bb]: conversion of phases obtained from SHELXE to O readablemap

["U. A. Ramagopal" <acharya@lsx9b.nsls.bnl.gov>]

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On Tue, 2 Apr 2002, Ram Thaimattam wrote:

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>
> Dear All,
> I would be grateful to you if you could help me to find a way of converting
> the phases written by SHELXE (which outputs phases in an XtalView format) to
> the format that is readable by O. It is mentioned in the SHELXE manual that
> the phases can be improved by by density modification using programs like DM,
> SOLOMON etc.
> Thanking you,
> Sincerely,
> Ram Thaimattam
>


       Dear Ram,

        f2mtz from CCP4 can do this for you.

        F2MTZ HKLIN junk.phs HKLOUT tmp.mtz <<e
        CELL -----
        SYMM XXXXX
        LABOUT H K L IP FOMS PHIS
        CTYP H H H I W P
        END
        e

        Now make an .mtz file from your data. If you have .sca file
	convert it to .mtz format using "s2mtz", where you have FP,
	SIGFP....etc..

        Put all these information to one file using CAD.
        You are ready with new file containing all info to run DM.
        OR
        with fft you can look at the map in "O"



        Ramagopal