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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.


The relax documentation page is

The relax user manual can be browsed online at, or viewed in PDF form at

Related Projects


LicenseVerified byVerified onNotes
GPLv3orlaterJgay8 March 2013

Leaders and contributors

Edward d'Auvergne Project Admin

Resources and communication

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User General
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Software prerequisites

Kind Description
Required to use Python
Required to use numpy
Weak prerequisite wxPython
Weak prerequisite scipy
Weak prerequisite mpi4py


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”.

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