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
João 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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