From deep TLS validation to ensembles of atomic models built from elemental motions. Addenda and corrigendum.
Researcher feedback has indicated that in Urzhumtsev et al. [(2015) Acta Cryst. D71, 1668-1683] clarification of key parts of the algorithm for interpretation of TLS matrices in terms of elemental atomic motions and corresponding ensembles of atomic models is required. Also, it has been brought to the attention of the authors that the incorrect PDB code was reported for one of test models. These issues are addressed in this article.
Centre for Integrative Biology, Institut de Génétique et de Biologie Moléculaire et Cellulaire, 1 rue Laurent Fries, BP 10142, 67404 Illkirch, France.
Alexandre
A
Urzhumtsev
Molecular Biophysics and Integrated Bioimaging Division, Lawrence Berkeley National Laboratory, Berkeley, California, USA.
Pavel V
PV
Afonine
Department of Bioengineering and Therapeutic Sciences, University of California, San Francisco, San Francisco, California, USA.
Andrew H
AH
Van Benschoten
Department of Bioengineering and Therapeutic Sciences, University of California, San Francisco, San Francisco, California, USA.
James S
JS
Fraser
Molecular Biophysics and Integrated Bioimaging Division, Lawrence Berkeley National Laboratory, Berkeley, California, USA.
Paul D
PD
Adams
TLS matrices; TLS model; addenda and corrigendum; atomic displacement matrices; ensemble of atomic models; model validation