Molecular dynamics by NMR data analysis
relax is a program designed for the study of molecular dynamics of organic molecules, proteins, RNA, DNA, sugars, and other biomolecules through the analysis of experimental NMR data.
It supports exponential curve fitting for the calculation of the R1 and R2 relaxation rates, calculation of the NOE, reduced spectral density mapping, the Lipari and Szabo model-free analysis, study of domain motions via the N-state model or ensemble analysis and frame order dynamics theories using anisotropic NMR parameters such as RDCs and PCSs, the investigation of stereochemistry in dynamic ensembles, and the analysis of relaxation dispersion.
DocumentationThe relax documentation page is http://www.nmr-relax.com/docs.html.
The relax user manual can be browsed online at http://www.nmr-relax.com/manual/index.html, or viewed in PDF form at https://sourceforge.net/projects/nmr-relax/files/manual/relax.pdf/download.
released on 24 August 2020
git clone git://git.code.sf.net/p/nmr-relax/code relax
8 March 2013
Leaders and contributors
|Edward d'Auvergne||Project Admin|
Resources and communication
|Required to use||Python|
|Required to use||numpy|
This entry (in part or in whole) was last reviewed on 19 April 2018.
Permission is granted to copy, distribute and/or modify this document under the terms of the GNU Free Documentation License, Version 1.3 or any later version published by the Free Software Foundation; with no Invariant Sections, no Front-Cover Texts, and no Back-Cover Texts. A copy of the license is included in the page “GNU Free Documentation License”.
The copyright and license notices on this page only apply to the text on this page. Any software or copyright-licenses or other similar notices described in this text has its own copyright notice and license, which can usually be found in the distribution or license text itself.