Use of knowledge-based restraints in phenix.refine to improve macromolecular refinement at low resolution

Headd, J.J.; Echols, N.; Afonine, P.V.; Grosse-Kunstleve, R.W.; Chen, V.B.; Moriarty, N.W.; Richardson, D.C.; Richardson, J.S.; Adams, P.D.

doi:10.1107/S0907444911047834

Acta Crystallographica Section D
Acta Crystallographica
Section D STRUCTURAL BIOLOGY

IUCr IT WDC

home archive editors for authors for readers submit subscribe open access

view article

Figure 1
Residual plot comparing a harmonic potential with the `top-out' function used for reference-model torsion restraints. For this example, l = 15.0° and σ = 1.0, which correspond to the default values in phenix.refine. The `top-out' potential, shown in blue, is smoothly limited to a residual value of 225, which is equal to the value of the harmonic potential at Δ = 15.0°.

STRUCTURAL
BIOLOGY

ISSN: 2059-7983

Volume 68| Part 4| April 2012| Pages 381-390

https://doi.org/10.1107/S0907444911047834

Open

access

Follow Acta Cryst. D

Search IUCr Journals		doi		Advanced search
Author		volume	page