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New Developments in NMR
Residual Dipolar Couplings: Principles and ApplicationsCheck Access
Edited by
Lishan Yao;
Lishan Yao
Qingdao Institute of BioEnergy and Bioprocess Technology, Chinese Academy of Sciences, China
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Beat Vogeli
Beat Vogeli
University of Colorado, USA
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Volume
31
Hardback ISBN:
978-1-83916-429-3
PDF ISBN:
978-1-83916-789-8
EPUB ISBN:
978-1-83916-790-4
Special Collection:
2024 eBook Collection
Series:
New Developments in NMR
No. of Pages:
402
Publication date:
16 Feb 2024
Book Chapter
Chapter 7: Study of Biomolecular Structure and Dynamics with Xplor-NIH Check Access
By
Guillermo A. Bermejo
;
Guillermo A. Bermejo
Laboratory of Chemical Physics, National Institute of Diabetes and Digestive and Kidney Diseases, National Institutes of Health, Bethesda, Maryland, USA
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Charles D. Schwieters
Charles D. Schwieters
Laboratory of Chemical Physics, National Institute of Diabetes and Digestive and Kidney Diseases, National Institutes of Health, Bethesda, Maryland, USA
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Published:16 Feb 2024
-
Special Collection: 2024 eBook CollectionSeries: New Developments in NMR
Page range:
131 - 158
Citation
G. A. Bermejo and C. D. Schwieters, in Residual Dipolar Couplings
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This chapter describes the residual dipolar coupling (RDC) functionality of the Xplor-NIH software package, used to both analyse pre-existing biomolecular structures and drive the structure determination process itself. The effects of dynamics on the RDC data are considered, notably, in terms of multi-conformation structure ensembles. Examples are provided, including fragments of Python scripts and shell commands for use on Linux and macOS X platforms.
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