[phenixbb] editing geometry restraints for C-beta deviation

Walter R.P. Novak novakw at wabash.edu
Fri Aug 17 08:07:37 PDT 2012


I have a relatively high-resolution (1.1 A) structure and one threonine 
residue has a C-beta deviation outlier that I cannot prevent via any 
traditional means. I would like to try to restrain the C-beta deviation 
for this residue by scaling the geometry restraints for this residue, 
but I am not sure of how I should define the restraint for C-beta. Any 
suggestions are greatly appreciated.


Walter R.P. Novak
Assistant Professor of Chemistry
Wabash College
301 W. Wabash Avenue
Crawfordsville, IN 47933
Phone: 765-361-6407
Fax: 765-361-6149

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