[phenixbb] anomalous difference map calculation option in phenix.refine
Randy Read
rjr27 at cam.ac.uk
Mon Aug 18 02:00:29 PDT 2008
Hi Pavel,
We should compare the anomalous difference maps you get with the
results of running LLG completion looking for anomalous scatterers in
Phaser. In our experiences so far, the LLG maps show the missing
anomalous scatterers at a higher significance level than the
corresponding model-phased anomalous difference Fouriers starting from
the same model. More importantly, the iterative procedure (where
anomalous scatterers are added to the model and refined) pulls out
sites that don't appear in the initial map with either approach.
Once the SAD target is properly implemented in phenix.refine, it
should be possible to carry out these calculations directly from
phenix.refine as well. Ralf and Airlie have promised to get the
problems sorted out at the next workshop, and I think Ralf is planning
on coming a few days early.
Regards,
Randy
On 18 Aug 2008, at 01:06, Pavel Afonine wrote:
>
> For many of you who asked for anomalous difference map calculation
> option in phenix.refine: this is fixed and available in just announced
> PHENIX release.
>
> Pavel.
>
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> phenixbb at phenix-online.org
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------
Randy J. Read
Department of Haematology, University of Cambridge
Cambridge Institute for Medical Research Tel: + 44 1223 336500
Wellcome Trust/MRC Building Fax: + 44 1223 336827
Hills Road E-mail: rjr27 at cam.ac.uk
Cambridge CB2 0XY, U.K. www-
structmed.cimr.cam.ac.uk
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