Difference between revisions of "Relax"
m (Updated the version number to relax 3.1.5.) |
(Added R link) |
||
| (22 intermediate revisions by 3 users not shown) | |||
| Line 2: | Line 2: | ||
|Name=relax | |Name=relax | ||
|Short description=Molecular dynamics by NMR data analysis | |Short description=Molecular dynamics by NMR data analysis | ||
| − | |Full description=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. | + | |Full description='''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. | ||
|Homepage URL=http://www.nmr-relax.com | |Homepage URL=http://www.nmr-relax.com | ||
| − | |User level= | + | |User level=advanced |
| − | | | + | |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/Obsolete=No | ||
| + | |Accepts cryptocurrency donations=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= | + | |Version identifier=4.0.3 |
| − | |Version date= | + | |Version date=2016/10/28 |
|Version status=mature | |Version status=mature | ||
| − | |Version | + | |Version comment=See http://wiki.nmr-relax.com/Relax_4.0.3. |
| − | | | + | |Test entry=No |
| + | |Last review by=Bendikker | ||
| + | |Last review date=2018/04/19 | ||
| + | |Submitted by=Bendikker | ||
| + | |Submitted date=2018/3/29 | ||
|Is GNU=No | |Is GNU=No | ||
}} | }} | ||
| Line 27: | Line 35: | ||
|Role=Project Admin | |Role=Project Admin | ||
|Email=edward@nmr-relax.com | |Email=edward@nmr-relax.com | ||
| − | |Resource URL= | + | }} |
| + | {{Resource | ||
| + | |Resource audience=R (Ref) | ||
| + | |Resource URL=https://cran.r-project.org/web/packages/relax | ||
| + | }} | ||
| + | {{Resource | ||
| + | |Resource audience=Python (Ref) | ||
| + | |Resource URL=https://pypi.org/project/relax | ||
| + | }} | ||
| + | {{Resource | ||
| + | |Resource audience=Ruby (Ref) | ||
| + | |Resource URL=https://rubygems.org/gems/relax | ||
}} | }} | ||
{{Resource | {{Resource | ||
| Line 43: | Line 62: | ||
|Resource kind=Download | |Resource kind=Download | ||
|Resource URL=http://www.nmr-relax.com/download.html | |Resource URL=http://www.nmr-relax.com/download.html | ||
| − | |||
| − | |||
| − | |||
| − | |||
| − | |||
| − | |||
| − | |||
| − | |||
| − | |||
| − | |||
| − | |||
| − | |||
| − | |||
| − | |||
| − | |||
| − | |||
| − | |||
| − | |||
| − | |||
| − | |||
| − | |||
| − | |||
| − | |||
| − | |||
| − | |||
| − | |||
| − | |||
| − | |||
| − | |||
| − | |||
| − | |||
| − | |||
| − | |||
| − | |||
| − | |||
| − | |||
| − | |||
| − | |||
| − | |||
| − | |||
}} | }} | ||
{{Software category | {{Software category | ||
Revision as of 13:59, 19 April 2018
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/5.0.0/relax-5.0.0.GNU-Linux.x86_64.tar.bz2/download
Categories
Licensing
License
Verified by
Verified on
Notes
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.