Re: [phenixbb] R free set in twinned dataset

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 :

...

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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