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
|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.'''
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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.
 
|Homepage URL=http://www.nmr-relax.com
 
|Homepage URL=http://www.nmr-relax.com
|User level=intermediate
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|Is High Priority Project=No
|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.
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
|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=5.0.0
|Version date=2013/02/12
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|Version date=2020/08/24
 
|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=https://sourceforge.net/projects/nmr-relax/files/5.0.0/relax-5.0.0.GNU-Linux.x86_64.tar.bz2/download
|Status=
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|Version comment=See http://wiki.nmr-relax.com/Relax_5.0.0.
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|Last review by=Bendikker
 +
|Last review date=2018/04/19
 +
|Submitted by=Bendikker
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|Submitted date=2018/3/29
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|User level=advanced
 +
|Accepts cryptocurrency donations=No
 +
|Test entry=No
 
|Is GNU=No
 
|Is GNU=No
 
}}
 
}}
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|Role=Project Admin
 
|Role=Project Admin
 
|Email=edward@nmr-relax.com
 
|Email=edward@nmr-relax.com
|Resource URL=
 
 
}}
 
}}
 
{{Resource
 
{{Resource
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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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}}
 
}}
 
{{Resource
 
{{Resource
|Resource audience=Developer
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|Resource audience=User
|Resource kind=VCS Repository Webview
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|Resource kind=Bug Tracking
|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
|Resource kind=Bug Tracking
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|Resource kind=Support
|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
|Resource kind=Support
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|Resource kind=Mailing List
|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
|Resource kind=Mailing List Info/Archive
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|Resource kind=Mailing List Subscribe
|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
|Resource kind=Mailing List Info/Archive
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|Resource kind=Mailing List
|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
|Resource kind=Mailing List Info/Archive
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|Resource kind=Mailing List Subscribe
|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/
 
}}
 
}}
 
{{Resource
 
{{Resource
 
|Resource audience=Developer
 
|Resource audience=Developer
|Resource kind=Mailing List Info/Archive
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|Resource kind=VCS Repository Webview
|Resource URL=https://mail.gna.org/public/relax-devel/
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|Resource URL=https://github.com/nmr-relax/relax
 
}}
 
}}
 
{{Resource
 
{{Resource
 
|Resource audience=Developer
 
|Resource audience=Developer
|Resource kind=Mailing List Info/Archive
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|Resource kind=VCS Repository Webview
|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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}}
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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/
 
}}
 
}}
 
{{Software category
 
{{Software category
 
|Interface=command-line, x-window-system
 
|Interface=command-line, x-window-system
|Programming-language=python
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|Programming-language=C, python
|Science=biology, chemistry, physics
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|Science=biology, chemistry, physics, scientific-visualization
 
|Use=science
 
|Use=science
|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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}}
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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 05:17, 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.

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 https://sourceforge.net/projects/nmr-relax/files/manual/relax.pdf/download.

Related Projects





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


Software prerequisites

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

This entry (in part or in whole) was last reviewed on 19 April 2018.



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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.


































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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