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ABSTRACT:
SUBMITTER: Afonine PV
PROVIDER: S-EPMC6038382 | biostudies-literature | 2018 Jul
REPOSITORIES: biostudies-literature
Acta crystallographica. Section D, Structural biology 20180608 Pt 7
TLS modelling was developed by Schomaker and Trueblood to describe atomic displacement parameters through concerted (rigid-body) harmonic motions of an atomic group [Schomaker & Trueblood (1968), Acta Cryst. B24, 63-76]. The results of a TLS refinement are T, L and S matrices that provide individual anisotropic atomic displacement parameters (ADPs) for all atoms belonging to the group. These ADPs can be calculated analytically using a formula that relates the elements of the TLS matrices to atom ...[more]