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Hello, Someone in our lab has started a refinement run in REFMAC and wants to continue it in Phenix.refine. Is there an easy way to get phenix to recognize the r-free flag from REFMAC (freeR=0)? Thanks, jf -- James Fraser jamesfraser@berkeley.edu Alber Lab 356 Stanley Hall, QB3 UC Berkeley Berkeley, CA 94720 http://ucxray.berkeley.edu/~jfraser/
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Sorry, I discovered the answer:
refinement.input.r_free_flags.test_flag_value=0
My apologies,
jf
On Jan 8, 2008 9:22 PM, James Fraser
-- James Fraser jamesfraser@berkeley.edu Alber Lab 356 Stanley Hall, QB3 UC Berkeley Berkeley, CA 94720 http://ucxray.berkeley.edu/~jfraser/
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I think its is detected automatically to be honest, but the way you
just mailed does the trick as well.
Please note that the standard ccp4 free flag doesn't follow the
lattice symmetry: something that can be annoying when you find out
that your data is twinned. The free set generated by phenix.refine
does have this property.
HTH
P
2008/1/8, James Fraser
participants (2)
-
James Fraser
-
Peter Zwart