Difference between revisions of "Relax"
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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. | 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. | ||
|Homepage URL=http://www.nmr-relax.com | |Homepage URL=http://www.nmr-relax.com | ||
| − | |||
|Is High Priority Project=No | |Is High Priority Project=No | ||
|Computer languages=Python, C | |Computer languages=Python, C | ||
|Documentation note=The relax documentation page is http://www.nmr-relax.com/docs.html. | |Documentation note=The 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 | The relax user manual can be browsed online at http://www.nmr-relax.com/manual/index.html | ||
| − | |Decommissioned | + | |Decommissioned or Obsolete=No |
| − | |||
|Related projects=minfx, bmrblib | |Related projects=minfx, bmrblib | ||
|Keywords=NMR, scientific analysis, Model-free, RMSD, R1, R2, NOE, Frame order, N-state model, ensemble analysis, NMR relaxation data, relaxation dispersion | |Keywords=NMR, scientific analysis, Model-free, RMSD, R1, R2, NOE, Frame order, N-state model, ensemble analysis, NMR relaxation data, relaxation dispersion | ||
| − | |Version identifier=4.0 | + | |Version identifier=4.1.0 |
| − | |Version date= | + | |Version date=2019/02/14 |
|Version status=mature | |Version status=mature | ||
| − | |Version comment=See http://wiki.nmr-relax.com/Relax_4.0. | + | |Version comment=See http://wiki.nmr-relax.com/Relax_4.1.0. |
| − | |||
|Last review by=Bendikker | |Last review by=Bendikker | ||
|Last review date=2018/04/19 | |Last review date=2018/04/19 | ||
|Submitted by=Bendikker | |Submitted by=Bendikker | ||
|Submitted date=2018/3/29 | |Submitted date=2018/3/29 | ||
| + | |User level=advanced | ||
| + | |Accepts cryptocurrency donations=No | ||
| + | |Test entry=No | ||
|Is GNU=No | |Is GNU=No | ||
| + | |Decommissioned/Obsolete=No | ||
}} | }} | ||
{{Project license | {{Project license | ||
Revision as of 10:44, 19 February 2019
relax
http://www.nmr-relax.com
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.
Download
https://sourceforge.net/projects/nmr-relax/files/5.1.0/relax-5.1.0.GNU-Linux.x86_64.tar.bz2/download
version 5.1.0
(stable)
released on 7 June 2024
User level
Advanced
VCS Checkout
git clone git://git.code.sf.net/p/nmr-relax/code relaxCategories
Licensing
License
Verified by
Verified on
Notes
License
Verified by
Jgay
Verified on
8 March 2013
Leaders and contributors
| Contact(s) | Role |
|---|---|
| Edward d'Auvergne | Project Admin |
Resources and communication
Software prerequisites
| Kind | Description |
|---|---|
| Weak prerequisite | wxPython |
| Required to use | Python |
| Weak prerequisite | scipy |
| Required to use | numpy |
| 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”.
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.