Difference between revisions of "Relax"

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m (URL fixes for the Resource section.)
m (Updated the version number to 4.0.3.)
 
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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.
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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=2.2.2
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|Version identifier=4.0.3
|Version date=2013/02/12
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|Version date=2016/10/28
 
|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-4.0.3.src.tar.bz2
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|Version comment=See http://wiki.nmr-relax.com/Relax_4.0.3.
 
|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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|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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{{Software category
 
{{Software category
 
|Interface=command-line, x-window-system
 
|Interface=command-line, x-window-system
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|Programming-language=python
 
|Science=biology, chemistry, physics
 
|Science=biology, chemistry, physics
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|Use=science
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|Version-control=subversion
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|Works-with=text, xml
 
}}
 
}}
 
{{Software prerequisite
 
{{Software prerequisite
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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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}}
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{{Software prerequisite
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|Prerequisite kind=Weak prerequisite
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|Prerequisite description=mpi4py
 
}}
 
}}
 
{{Featured}}
 
{{Featured}}

Latest revision as of 09:44, 28 October 2016

[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
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
DeveloperMailing List Info/Archivehttps://mail.gna.org/public/relax-commits/
UserSupporthttps://gna.org/support/%3Fgroup=relax
UserGeneralhttp://wiki.nmr-relax.com
UserMailing List Info/Archivehttp://gna.org/mail/%3Fgroup=relax
UserHomepagehttp://www.nmr-relax.com
UserMailing List Info/Archivehttps://mail.gna.org/public/relax-announce/
UserDownloadhttp://www.nmr-relax.com/download.html


Software prerequisites

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



Entry





Property "Submitted by" (as page type) with input value "{{{Submitted by}}}" contains invalid characters or is incomplete and therefore can cause unexpected results during a query or annotation process.
"{{{Submitted date}}}" contains an extrinsic dash or other characters that are invalid for a date interpretation.





"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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