Re: [ccp4bb]: Density modification; prime-and-switch for MR solution

[<phubbard@post.its.mcw.edu>]

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P'n'S in 4 easy steps...

1) Open up CCP4i - goto "Calculate Fs and Phases"

i)read in PDB file (molrep solution)
ii)read in MTZ file (convert from another format if necessary)
iii)Check the "scale input Fp to FCalc" button (but maybe try without if
your maps aren't so good - maybe you're already close enough to the absolute
scale if resolution is high enough).

2) Goto "Merge MTZ Files (Cad)"
i)Read in your rawdata MTZ file (the one with Fp). - Input all columns
ii)select "Add input MTZ file"
iii)Read in the MTZ file made in step 1 - Input all columns.

3) Goto "Sigma-A"
i)select "phase using partial sturcture"
ii)read in MTZ file from output of step 2.

4) Read in Sigma-A MTZ file into RESOVLE - use the example script (should
have all the correct column labels).

THE END

AGS

> ***  For details on how to be removed from this list visit the  *** ***
>          CCP4 home page http://www.ccp4.ac.uk         ***
>
> I'm going nuts trying to find a way to do density
> modification and prime-and-switch on my MR soultion from
> Molrep.  I've tried using a SIGMAA script, but I don't
> have an FC or PHIC label.  Soloman and DM also give
> error messages - dm says I have no density in my map (?)
> and Soloman gives me label errors also.  I can't run
> Resolve's Prime-and-Switch program without FC, PHIC...
> labels.  Any tips?  I'm definitely not a computer
> person.
>
> -Cat