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

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

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.

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

[1] Randy J. Read,et al. Overview of the CCP4 suite and current developments , 2011, Acta crystallographica. Section D, Biological crystallography.

[2] Alexandre Urzhumtsev,et al. From deep TLS validation to ensembles of atomic models built from elemental motions , 2015, bioRxiv.

[3] Randy J. Read,et al. Acta Crystallographica Section D Biological , 2003 .

[4] P. Adams,et al. TLS from fundamentals to practice , 2013, Crystallography reviews.

[5] Nicholas K. Sauter,et al. The Computational Crystallography Toolbox: crystallographic algorithms in a reusable software framework , 2002 .