Difference between revisions of "Relax"

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m (Update for relax 4.1.0.)
(Update to version 5.1.0.)
 
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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
 +
|Version download=https://sourceforge.net/projects/nmr-relax/files/5.1.0/relax-5.1.0.GNU-Linux.x86_64.tar.bz2/download
 
|Is High Priority Project=No
 
|Is High Priority Project=No
 +
|VCS checkout command=git clone git://git.code.sf.net/p/nmr-relax/code relax
 
|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
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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.
 
|Decommissioned or Obsolete=No
 
|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=4.1.0
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|Version identifier=5.0.0
−
|Version date=2019/02/14
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|Version date=2020/08/24
 
|Version status=mature
 
|Version status=mature
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|Version comment=See http://wiki.nmr-relax.com/Relax_4.1.0.
+
|Version comment=See http://wiki.nmr-relax.com/Relax_5.0.0.
 
|Last review by=Bendikker
 
|Last review by=Bendikker
 
|Last review date=2018/04/19
 
|Last review date=2018/04/19
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|Test entry=No
 
|Test entry=No
 
|Is GNU=No
 
|Is GNU=No
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|Decommissioned/Obsolete=No
 
 
}}
 
}}
 
{{Project license
 
{{Project license
 
|License=GPLv3orlater
 
|License=GPLv3orlater
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|License copyright=Copyright 2001-2024 the relax development team
 
|License verified by=Jgay
 
|License verified by=Jgay
−
|License verified date=2013/03/08
+
|License verified date=2013-03-08
 +
|License note=https://sourceforge.net/p/nmr-relax/code/ci/master/tree/docs/COPYING
 +
}}
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{{Software category
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|Interface=command-line, x-window-system
 +
|Programming-language=C, python
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|Science=biology, chemistry, physics, scientific-visualization
 +
|Use=science
 +
|Version-control=git
 +
|Works-with=text, xml
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}}
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{{EntryGNU
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|Is GNU=No
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{{Software prerequisite
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|Prerequisite kind=Required to use
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|Prerequisite description=Python
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|Prerequisite kind=Required to use
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|Prerequisite description=numpy
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|Prerequisite kind=Weak prerequisite
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|Prerequisite description=wxPython
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|Prerequisite kind=Weak prerequisite
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|Prerequisite description=scipy
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|Prerequisite description=mpi4py
 
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|Resource audience=R (Ref)
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|Resource audience=User
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|Resource URL=https://cran.r-project.org/web/packages/relax
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|Resource kind=Homepage
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|Resource URL=http://www.nmr-relax.com
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|Resource URL=http://www.nmr-relax.com/download.html
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|Resource kind=Bug Tracking
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|Resource URL=https://sourceforge.net/p/nmr-relax/tickets/
 
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|Resource audience=Python (Ref)
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|Resource URL=https://sourceforge.net/projects/nmr-relax/lists/nmr-relax-announce
 
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|Interface=command-line, x-window-system
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|Prerequisite kind=Weak prerequisite
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{{EntryDetails
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|Prerequisite kind=Weak prerequisite
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|Screenshot 1=Analysis wizard.png
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|Prerequisite description=mpi4py
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|Screenshot 2=Analysis mf.png
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|Screenshot 3=Spin viewer.png
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|Is High Priority Project=No
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|VCS checkout command=git clone git://git.code.sf.net/p/nmr-relax/code relax
 +
|Computer languages=Python
 +
|Decommissioned or Obsolete=No
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|Keywords=Software, model-free analysis, NMR relaxation data (R1 and R2 exponential curve-fitting, steady-state NOE calculation), reduced spectral density mapping, relaxation dispersion, N-state model, frame order dynamics theories, stereochemistry, conformational analysis, organic molecules, proteins, RNA, DNA, sugars, and other biomolecules, modelfree analysis, NMR dynamics
 +
|Version identifier=5.1.0
 +
|Version date=2024-06-07
 +
|Version status=stable
 +
|User level=advanced
 +
|Accepts cryptocurrency donations=No
 +
|Test entry=No
 
}}
 
}}
 
{{Featured}}
 
{{Featured}}

Latest revision as of 04:11, 8 June 2024


[edit]

relax

http://www.nmr-relax.com
Molecular dynamics by NMR data analysis

Analysis wizard.png Analysis mf.png Spin viewer.png

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

Categories





Licensing

License

Verified by

Verified on

Notes

License

GPLv3orlater

Verified by

Jgay

Verified on

8 March 2013

Notes

https://sourceforge.net/p/nmr-relax/code/ci/master/tree/docs/COPYING




Leaders and contributors

Contact(s)Role
Edward d'Auvergne Project Admin


Resources and communication

AudienceResource typeURI
DeveloperMailing List Subscribehttps://sourceforge.net/projects/nmr-relax/lists/nmr-relax-commits
UserMailing List Subscribehttps://sourceforge.net/projects/nmr-relax/lists/nmr-relax-announce
UserDownloadhttp://www.nmr-relax.com/download.html
DeveloperVCS Repository Webviewhttps://github.com/nmr-relax/relax
UserGeneralhttp://wiki.nmr-relax.com
UserBug Trackinghttps://sourceforge.net/p/nmr-relax/tickets/
UserSupporthttps://sourceforge.net/p/nmr-relax/tickets-support/
DeveloperVCS Repository Webviewhttps://gitlab.com/nmr-relax/relax
UserMailing List Subscribehttps://sourceforge.net/projects/nmr-relax/lists/nmr-relax-users
DeveloperVCS Repository Webviewhttps://bitbucket.org/nmr-relax/relax/src/master/
UserMailing Listhttps://sourceforge.net/p/nmr-relax/mailman/nmr-relax-users/
UserHomepagehttp://www.nmr-relax.com
DeveloperMailing Listhttps://sourceforge.net/p/nmr-relax/mailman/nmr-relax-commits/
DeveloperMailing List Subscribehttps://sourceforge.net/projects/nmr-relax/lists/nmr-relax-devel
DeveloperMailing Listhttps://sourceforge.net/p/nmr-relax/mailman/nmr-relax-devel/
DeveloperVCS Repository Webviewhttps://sourceforge.net/p/nmr-relax/code/ci/master/tree/
UserMailing Listhttps://sourceforge.net/p/nmr-relax/mailman/nmr-relax-announce/


Software prerequisites

KindDescription
Weak prerequisitewxPython
Required to usePython
Weak prerequisitescipy
Required to usenumpy
Weak prerequisitempi4py




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"User" is not in the list (General, Help, Bug Tracking, Support, Developer) of allowed values for the "Resource audience" property. 


 







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