From deep TLS validation to ensembles of atomic models built from elemental motions. Addenda and corrigendum

By Alexandre Urzhumtsev, Pavel V. Afonine, Andrew H. Van Benschoten, James S. Fraser, Paul D. Adams. 2016

6 citations recorded by the source corpus.

Some key parts of the algorithm for interpretation of TLS matrices in terms of elemental atomic motions and corresponding ensembles of atomic models described in the article by Urzhumtsev et al. [(2015) Acta Cryst. D71, 1668–1683] are clarified and developed, and a reference on a wrong model is corrected.

Subfields: Materials Chemistry, Radiation

How researchers see this paper

The researchers whose trusted networks rank it highest, strongest advocate first. Every researcher gets a different order.

In Materials Chemistry

1. Paul D. Adams
2. Pavel V. Afonine
3. Randy J. Read
4. T. C. Terwilliger
5. Nigel W. Moriarty
6. T. Croll
7. A. McCoy
8. Jane S. Richardson

In Radiation

1. Pavel V. Afonine
2. Paul D. Adams
3. A. McCoy
4. Randy J. Read

Citations in the corpus

• Macromolecular structure determination using X-rays, neutrons and electrons: recent developments in Phenix (2019, methodology): “ADP parameterizations include the translation/libration/screw (TLS) model for the movement of groups treated as rigid (Schomaker & Trueblood, 1968; Urzhumtsev et al., 2016; Afonine, Adams et al., 2018) as well as individual isotropic, anisotropic and grouped isotropic ADPs.”
• From deep TLS validation to ensembles of atomic models built from elemental motions. II. Analysis of TLS refinement results by explicit interpretation (2018, methodology): “An interpretation of TLS refinement results in terms of elemental motions (see, for example, Howlin et al., 1993; Urzhumtsev et al., 2015, 2016) provides an opportunity to verify whether the corresponding motion parameters agree with TLS theory.”