[phenixbb] Geometry Restraints - Anisotropic truncation
sazanov at mrc-mbu.cam.ac.uk
Sun Apr 29 06:30:43 PDT 2012
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.
Date: Wed, 25 Apr 2012 09:05:57 -0400
From: Mario Sanches <mariosan at gmail.com>
To: PHENIX user mailing list <phenixbb at phenix-online.org>
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,
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:
Dr. Leonid A. Sazanov
Research group leader
Medical Research Council
Mitochondrial Biology Unit
Wellcome Trust / MRC Building
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