From deep TLS validation to ensembles of atomic models built from elemental motions

Procedures are described for extracting the vibration and libration parameters corresponding to a given set of TLS matrices and their simultaneous validation. Knowledge of these parameters allows the generation of structural ensembles corresponding to these matrices.

Bibliographic Details
Main Authors: Urzhumtsev, Alexandre, Afonine, Pavel V., Van Benschoten, Andrew H., Fraser, James S., Adams, Paul D.
Format: Online
Language:English
Published: International Union of Crystallography 2015
Online Access:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4528800/