Difference between revisions of "Relax"

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m (Updated the list of categories for relax - the original listing was far from complete.)
m (Added another optional dependency to the list.)
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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 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.
+
|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.
 
|Homepage URL=http://www.nmr-relax.com
 
|Homepage URL=http://www.nmr-relax.com
 
|User level=intermediate
 
|User level=intermediate
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|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
 
|Keywords=NMR, scientific analysis, Model-free, RMSD, R1, R2, NOE, Frame order, N-state model, ensemble analysis, NMR relaxation data
|Version identifier=2.2.2
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|Version identifier=2.2.5
|Version date=2013/02/12
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|Version date=2013/03/24
 
|Version status=mature
 
|Version status=mature
|Version download=http://download.gna.org/relax/relax-2.2.2.src.tar.bz2
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|Version download=http://download.gna.org/relax/relax-2.2.5.src.tar.bz2
 
|Status=
 
|Status=
 
|Is GNU=No
 
|Is GNU=No
 
}}
 
}}
 
{{Project license
 
{{Project license
|License=GNU GPL v3+
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|License=GPLv3orlater
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|License verified by=Jgay
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|License verified date=2013/03/08
 
}}
 
}}
 
{{Person
 
{{Person
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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
 +
|Prerequisite kind=Weak prerequisite
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|Prerequisite description=scipy
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}}
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{{Software prerequisite
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|Prerequisite kind=Weak prerequisite
 +
|Prerequisite description=mpi4py
 
}}
 
}}
 
{{Featured}}
 
{{Featured}}

Revision as of 12:36, 15 May 2013

[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.

Documentation

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, or viewed in PDF form at http://download.gna.org/relax/manual/relax.pdf.

Related Projects




Licensing

LicenseVerified byVerified onNotes
GPLv3orlaterJgay8 March 2013



Leaders and contributors

Contact(s)Role
Edward d'Auvergne Project Admin


Resources and communication

AudienceResource typeURI
DeveloperMailing List Info/Archivehttps://mail.gna.org/public/relax-commits/
UserSupporthttps://gna.org/support/%3Fgroup=relax
UserHomepagehttp://www.nmr-relax.com
UserMailing List Info/Archivehttp://gna.org/mail/%3Fgroup=relax
UserGeneralhttp://wiki.nmr-relax.com
UserMailing List Info/Archivehttps://mail.gna.org/public/relax-announce/
UserDownloadhttp://www.nmr-relax.com/download.html
UserMailing List Info/Archivehttps://mail.gna.org/public/relax-users/
DeveloperVCS Repository Webviewhttp://svn.gna.org/viewcvs/relax/
DeveloperMailing List Info/Archivehttps://mail.gna.org/public/relax-devel/
UserBug Trackinghttps://gna.org/bugs/%3Fgroup=relax


Software prerequisites

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



Entry





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"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.






















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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