Thanks.  It works.  If there is multiple twinning possibilities, should I give the exact twinning operator? or the program already considers all of them.  Any suggestions to remove the old R-free memories? I normally use a simulated annealing at 5000 K.  Don't know if there is any faster way to do it.

Jianghai

+++++++++++++++++++++++++++++++
Jianghai Zhu, Ph.D
CBR Institute for Biomedical Research
Department of Pathology
Harvard Medical School
200 Longwood Ave., Boston, MA 02115
Ph: 617-278-3211
Fx: 618-278-3232
+++++++++++++++++++++++++++++++



On Oct 8, 2007, at 4:47 PM, Peter Zwart wrote:

use

phenix.reflection_file_converter input.mtz  --mtz=output.mtz
--generate-r-free-flags \
--use-lattice-symmetry-in-r-free-flag-generation
--r-free-flags-fraction=0.1 \ --r-free-flags-max-free=2000

This should do the trick. If not, it will tell you what else to
specify to get it running

HTH

Peter










2007/10/8, Jianghai Zhu <[email protected]>:
Thanks. How do I generate the R-free flag without any model refinement?  I
just want to output a new mtz file with the new R-free flags.

Jianghai


+++++++++++++++++++++++++++++++
Jianghai Zhu, Ph.D
CBR Institute for Biomedical Research
Department of Pathology
Harvard Medical School
200 Longwood Ave., Boston, MA 02115
Ph: 617-278-3211
Fx: 618-278-3232
+++++++++++++++++++++++++++++++




On Oct 8, 2007, at 4:04 PM, Peter Zwart wrote:

Yes.

phenix.refine will take into acocunt all possible twin operators for
the given crystal symmeytry.
Even in the absence of a supplied twin operator, the free set will be
chosen in a sensible manner.

HTH

Peter

2007/10/8, Jianghai Zhu <[email protected]>:
Hi,

Can I use phenix.refine to generate R-free flag in the case of twinning?
Will phenix.refine consider the twinning operator in the process?  I
couldn't find this information in the manual.

Thanks.

Jianghai


+++++++++++++++++++++++++++++++
Jianghai Zhu, Ph.D
CBR Institute for Biomedical Research
Department of Pathology
Harvard Medical School
200 Longwood Ave., Boston, MA 02115
Ph: 617-278-3211
Fx: 618-278-3232
+++++++++++++++++++++++++++++++




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