Difference between revisions of "Relax"

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m (Removed a word duplication in the description.)
m (Update to version 3.3.7.)
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|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, and the investigation of stereochemistry.
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|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=intermediate
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|User level=advanced
 
|VCS checkout command=svn co http://svn.gna.org/svn/relax/trunk relax
 
|VCS checkout command=svn co http://svn.gna.org/svn/relax/trunk relax
 
|Computer languages=Python, C
 
|Computer languages=Python, C
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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 http://download.gna.org/relax/manual/relax.pdf.
 
The relax user manual can be browsed online at http://www.nmr-relax.com/manual/index.html, or viewed in PDF form at http://download.gna.org/relax/manual/relax.pdf.
 
|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
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|Keywords=NMR, scientific analysis, Model-free, RMSD, R1, R2, NOE, Frame order, N-state model, ensemble analysis, NMR relaxation data, relaxation dispersion
|Version identifier=2.2.4
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|Version identifier=3.3.7
|Version date=2013/03/17
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|Version date=2015/03/13
 
|Version status=mature
 
|Version status=mature
|Version download=http://download.gna.org/relax/relax-2.2.4.src.tar.bz2
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|Version download=http://download.gna.org/relax/relax-3.3.7.src.tar.bz2
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|Version comment=See http://wiki.nmr-relax.com/Relax_3.3.7.
 
|Status=
 
|Status=
 
|Is GNU=No
 
|Is GNU=No
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|Resource kind=Homepage
 
|Resource kind=Homepage
 
|Resource URL=http://www.nmr-relax.com
 
|Resource URL=http://www.nmr-relax.com
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}}
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{{Resource
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|Resource audience=User
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|Resource kind=General
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|Resource URL=http://wiki.nmr-relax.com
 
}}
 
}}
 
{{Resource
 
{{Resource
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|Prerequisite kind=Weak prerequisite
 
|Prerequisite kind=Weak prerequisite
 
|Prerequisite description=wxPython
 
|Prerequisite description=wxPython
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}}
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{{Software prerequisite
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|Prerequisite kind=Weak prerequisite
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|Prerequisite description=scipy
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}}
 +
{{Software prerequisite
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|Prerequisite kind=Weak prerequisite
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|Prerequisite description=mpi4py
 
}}
 
}}
 
{{Featured}}
 
{{Featured}}

Revision as of 11:15, 13 March 2015


[edit]

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.





Licensing

License

Verified by

Verified on

Notes

Verified by

Jgay

Verified on

8 March 2013




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




Entry








"Project Admin" is not in the list (Maintainer, Contributor, Developer, Sponsor, Unknown) of allowed values for the "Role" property.


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


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


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




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


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


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


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


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






















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