Re: [phenixbb] Structure with pseudo-NCS translation

Hi Mark, I believe at least part of the problem arises already in the scaling stage, where the programs assume a unimodal distribution which is not the case in the presence of pseudo-translations. We encountered a similar issue with refinement and pseudo-translation, where I simply scaled the systematically weak data separately from the strong and did rigid body refinement against the weak data and restrained against the strong. The details can be found in http://scripts.iucr.org/cgi-bin/paper?ea5052. Best, Esko _____________________ Esko Oksanen, PhD Instrument Scientist - Neutron Macromolecular Crystallography European Spallation Source ESS AB P.O Box 176, SE-221 00 Lund, Sweden Visiting address: Tunavägen 24, Lund Switchboard: +46 46 888 00 00 Phone: +46 46 888 30 36 Mobile: +46 721 79 20 36 E-mail: [email protected]mailto:[email protected] www.esss.sehttp://www.esss.se/ On 03 Apr 2015, at 15:59, Mark A Saper mailto:[email protected]> wrote: I know that Phaser takes account of NCS translation in the likelihood statistics ( Read, Adams, McCoy (2013) Intensity statistics in the presence of translational non crystallographic symmetry”). Has this also been incorporated into phenix.refine? I have a structure with pseudo NCS translations because of NCS rotational symmetry. One suggestion that I found in the archives, was to explicitly LS target refinement rather than ML. Any comments? Mark _________________________________ Mark A. Saper, Ph.D. Associate Professor of Biological Chemistry, University of Michigan Ann Arbor MI 48109-1055 U.S.A. [email protected]mailto:[email protected] phone (734) 764-3353 fax (734) 764-3323 _______________________________________________ phenixbb mailing list [email protected]mailto:[email protected] http://phenix-online.org/mailman/listinfo/phenixbb Unsubscribe: [email protected]