Hi James,
The easiest way I find is outside the GUI. On a command line type:
freerflag HKLIN foo.mtz HKLOUT bar.mtz
end
Then rename bar.mtz to foo.mtz, and you should find that the job is
done, with 5% of your reflections in the free set.
Cheers,
Graeme
-----Original Message-----
From: CCP4 bulletin board [mailto:[log in to unmask]] On Behalf Of
James Pauff
Sent: 31 May 2007 13:39
To: [log in to unmask]
Subject: [ccp4bb] Rfree into an existing mtz...
Good day all,
What is the best means of getting a freeR column into an existing mtz
file? I've noticed the "Edit MTZ"
command bar in CCP4, but there are other options (such as conversion to
XPLOR and then back to MTZ) that seem to be able to accomplish the same
thing, although there appear to be changes in the reflection parameters
upon this conversion.
Basically, I just want to add a freeR column to monitor my
refinement(s).
Thank you as usual.
________________________________________________________________________
____________Looking for a deal? Find great prices on flights and hotels
with Yahoo! FareChase.
http://farechase.yahoo.com/
|