Radius of Gyration Restraints
A pseudopotential for the radius of gyration allows a restraint for
the overall size of a group of atoms. The radius of gyration is
defined as
|
(26.1) |
where is atom position, and denotes average over all atoms.
The expected value for this quantity has been emprically determined to be
|
(26.2) |
where
is the number of residues in a compact globular region.
In the case of elongated structures, residues can be selected in
regional groupings for this restraint. The reference is
Kuszewski, Gronenborn, and Clore (1999).
Subsections
Xplor-NIH 2023-11-10