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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------ 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: [email protected] Cambridge CB2 0XY, U.K. www- structmed.cimr.cam.ac.uk