Petra,
You do not need any conversion.
It is true that the default FreeR flag used by the two programs is
the opposite (1 or 0), but I when you run CNS/Phenix or Refmac you
can say specifically which flag you want to use.
You just have to say in your input file which flag you want to use.
No need of conversions.
Ciao,
Joao
Joćo M. Dias
Ollmann Saphire Lab
The Scripps Research Institute
10550 North Torrey Pines Rd. IMM-2
La Jolla, CA 92037 USA
tel (858)784-8925
On Sep 27, 2007, at 12:03 PM, Petra Lukacik wrote:
> I have a mtz file (output from phenix AutoSol and AutoBuild) where
> the FreeR flag for the test set has a value of 1 and and the
> working set has value 0. This is opposite to the ccp4 default where
> the FreeR set used within refinement is flagged as 0. Is there a
> way to swap the two around so that my file has the ccp4 default
> arrangement? Preferably I would like to avoid conversion to ASCII
> reflection file formats (and back to mtz).
> Many thanks
>
> Petra
>
> ------------------------------
> Dr Petra Lukacik
> NIDDK, NIH
> Building 50, Room 4507
> 50 South Drive
> Bethesda
> MD 20892
> USA
> Tel: 301 594 9231
> -----------------------------
>
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