Re: [phenixbb] Geometry Restraints - Anisotropic truncation

...

...

...

...

...

Message: 4 Date: Wed, 25 Apr 2012 09:05:57 -0400 From: Mario Sanches To: PHENIX user mailing list Subject: [phenixbb] Geometry Restraints - UPDATE .......... It turns out that the reason to my nightmares was a highly anisotropic dataset. When I tried to fix geometry related problems in coot,

Hi, so will we see now the possibility to apply anisotropic resolution limits truncation in Phenix? Despite the fact that a lot of people use UCLA server, there is still no possibility to do this in any major crystallographic software, AFAIK. Phaser does the scaling, but no truncation, and noise sitting in those regions where there is no signal, is a real culprit. Large SIGFs there do not resolve the problem completely. Thanks. phenix.refine was twisting the geometry back again, probably because it was trying to fit a lot of noise due to the anisotropy. Everything was getting worst, geometry, clashscore, and Ramachandran. Pavel finally corrected it by using this server: http://services.mbi.ucla.edu/anisoscale/ ............ -- Dr. Leonid A. Sazanov Research group leader Medical Research Council Mitochondrial Biology Unit Wellcome Trust / MRC Building Hills Road Cambridge CB2 0XY WEB: www.mrc-mbu.cam.ac.uk Tel: +44-1223-252910 Fax: +44-1223-252915