Difference between revisions of "Relax"

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m (Switch to the 64-bit download, as relax is more accurate on this architecture compared to 32-bit.)
 
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|Name=relax
 
|Name=relax
 
|Short description=Molecular dynamics by NMR data analysis
 
|Short description=Molecular dynamics by NMR data analysis
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|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
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|User level=intermediate
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|Is High Priority Project=No
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|VCS checkout command=svn co http://svn.gna.org/svn/relax/trunk relax
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|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.
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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.
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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.
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|Decommissioned or Obsolete=No
 
|Related projects=minfx, bmrblib
 
|Related projects=minfx, bmrblib
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|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
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|Version identifier=2.2.2
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|Version identifier=5.0.0
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|Version date=2013/02/12
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|Version date=2020/08/24
 
|Version status=mature
 
|Version status=mature
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|Version download=http://download.gna.org/relax/relax-2.2.2.src.tar.bz2
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|Version download=https://sourceforge.net/projects/nmr-relax/files/5.0.0/relax-5.0.0.GNU-Linux.x86_64.tar.bz2/download
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|Status=
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|Version comment=See http://wiki.nmr-relax.com/Relax_5.0.0.
 +
|Last review by=Bendikker
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|Last review date=2018/04/19
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|Submitted by=Bendikker
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|Submitted date=2018/3/29
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|User level=advanced
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|Accepts cryptocurrency donations=No
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|Test entry=No
 
|Is GNU=No
 
|Is GNU=No
 
}}
 
}}
 
{{Project license
 
{{Project license
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|License=GPLv3orlate
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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
 
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{{Resource
 
{{Resource
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{{Resource
 
{{Resource
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|Resource audience=Developer
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|Resource audience=User
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|Resource kind=VCS Repository Webview
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|Resource kind=Bug Tracking
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|Resource URL=http://svn.gna.org/viewcvs/relax/
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|Resource URL=https://sourceforge.net/p/nmr-relax/tickets/
 
}}
 
}}
 
{{Resource
 
{{Resource
 
|Resource audience=User
 
|Resource audience=User
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|Resource kind=Bug Tracking
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|Resource kind=Support
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|Resource URL=https://gna.org/bugs/%3Fgroup=relax
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|Resource URL=https://sourceforge.net/p/nmr-relax/tickets-support/
 
}}
 
}}
 
{{Resource
 
{{Resource
 
|Resource audience=User
 
|Resource audience=User
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|Resource kind=Support
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|Resource kind=Mailing List
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|Resource URL=https://gna.org/support/%3Fgroup=relax
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|Resource URL=https://sourceforge.net/p/nmr-relax/mailman/nmr-relax-announce/
 
}}
 
}}
 
{{Resource
 
{{Resource
 
|Resource audience=User
 
|Resource audience=User
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|Resource kind=Mailing List Info/Archive
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|Resource kind=Mailing List Subscribe
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|Resource URL=http://gna.org/mail/%3Fgroup=relax
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|Resource URL=https://sourceforge.net/projects/nmr-relax/lists/nmr-relax-announce
 
}}
 
}}
 
{{Resource
 
{{Resource
 
|Resource audience=User
 
|Resource audience=User
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|Resource kind=Mailing List Info/Archive
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|Resource kind=Mailing List
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|Resource URL=https://mail.gna.org/public/relax-announce/
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|Resource URL=https://sourceforge.net/p/nmr-relax/mailman/nmr-relax-users/
 
}}
 
}}
 
{{Resource
 
{{Resource
 
|Resource audience=User
 
|Resource audience=User
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|Resource kind=Mailing List Info/Archive
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|Resource kind=Mailing List Subscribe
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|Resource URL=https://mail.gna.org/public/relax-users/
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|Resource URL=https://sourceforge.net/projects/nmr-relax/lists/nmr-relax-users
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}}
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{{Resource
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|Resource audience=Developer
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|Resource kind=Mailing List
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|Resource URL=https://sourceforge.net/p/nmr-relax/mailman/nmr-relax-devel/
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}}
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{{Resource
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|Resource audience=Developer
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|Resource kind=Mailing List Subscribe
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|Resource URL=https://sourceforge.net/projects/nmr-relax/lists/nmr-relax-devel
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}}
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{{Resource
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|Resource audience=Developer
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|Resource kind=Mailing List
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|Resource URL=https://sourceforge.net/p/nmr-relax/mailman/nmr-relax-commits/
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}}
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{{Resource
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|Resource audience=Developer
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|Resource kind=Mailing List Subscribe
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|Resource URL=https://sourceforge.net/projects/nmr-relax/lists/nmr-relax-commits
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}}
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{{Resource
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|Resource audience=Developer
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|Resource kind=VCS Repository Webview
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|Resource URL=https://sourceforge.net/p/nmr-relax/code/ci/master/tree/
 
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{{Resource
 
{{Resource
 
|Resource audience=Developer
 
|Resource audience=Developer
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|Resource kind=Mailing List Info/Archive
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|Resource kind=VCS Repository Webview
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|Resource URL=https://mail.gna.org/public/relax-devel/
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|Resource URL=https://github.com/nmr-relax/relax
 
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|Resource kind=VCS Repository Webview
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|Resource URL=https://mail.gna.org/public/relax-commits/
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|Resource URL=https://gitlab.com/nmr-relax/relax
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{{Resource
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|Resource audience=Developer
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|Resource kind=VCS Repository Webview
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|Resource URL=https://bitbucket.org/nmr-relax/relax/src/master/
 
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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
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|Programming-language=C, python
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|Science=biology, chemistry, physics
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|Science=biology, chemistry, physics, scientific-visualization
 
|Use=science
 
|Use=science
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|Version-control=subversion
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|Version-control=git
 
|Works-with=text, xml
 
|Works-with=text, xml
 
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|Prerequisite kind=Weak prerequisite
 
|Prerequisite kind=Weak prerequisite
 
|Prerequisite description=wxPython
 
|Prerequisite description=wxPython
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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
 
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{{Featured}}
 
{{Featured}}

Latest revision as of 06:17, 26 August 2020


[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.



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

License

GPLv3orlater

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.


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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.


"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. 























































































































				
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
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The copyright and license notices on this page only apply to the
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