Towards automated crystallographic structure refinement with phenix.refine

Afonine, P.V.; Grosse-Kunstleve, R.W.; Echols, N.; Headd, J.J.; Moriarty, N.W.; Mustyakimov, M.; Terwilliger, T.C.; Urzhumtsev, A.; Zwart, P.H.; Adams, P.D.

doi:10.1107/S0907444912001308

Acta Crystallographica Section D
Acta Crystallographica
Section D STRUCTURAL BIOLOGY

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Figure 7
(a) Ensemble of structures illustrating the outcome of 100 identical simulated-annealing refinement runs apart from the random seed. (b) The distribution of R_work and R_free corresponding to each structure of the ensemble.

STRUCTURAL
BIOLOGY

ISSN: 2059-7983

Volume 68| Part 4| April 2012| Pages 352-367

https://doi.org/10.1107/S0907444912001308

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