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Difference between revisions of "Relax"

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m (Updated the version information to the most recent 2.2.4 version.)
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=2.2.4
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|Version identifier=2.2.5
|Version date=2013/03/17
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|Version date=2013/03/24
 
|Version status=mature
 
|Version status=mature
|Version download=http://download.gna.org/relax/relax-2.2.4.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
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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
 +
|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}}

Revision as of 12:36, 15 May 2013

[edit]

relax

http://www.nmr-relax.com
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
"Email edward@nmr-relax.com" Edward d'Auvergne Project Admin


Resources and communication

Audience Resource type URI
Developer Mailing List Info/Archive https://mail.gna.org/public/relax-commits/
User Support https://gna.org/support/%3Fgroup=relax
User General http://wiki.nmr-relax.com
User Mailing List Info/Archive http://gna.org/mail/%3Fgroup=relax
User Homepage http://www.nmr-relax.com
User Mailing List Info/Archive https://mail.gna.org/public/relax-announce/
User Download http://www.nmr-relax.com/download.html
User Mailing List Info/Archive https://mail.gna.org/public/relax-users/
Developer VCS Repository Webview http://svn.gna.org/viewcvs/relax/
Developer Mailing List Info/Archive https://mail.gna.org/public/relax-devel/
User Bug Tracking https://gna.org/bugs/%3Fgroup=relax


Software prerequisites

Kind Description
Weak prerequisite mpi4py
Required to use Python
Required to use numpy
Weak prerequisite wxPython
Weak prerequisite scipy



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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”.

The copyright and license notices on this page only apply to the text on this page. Any software or copyright-licenses or other similar notices described in this text has its own copyright notice and license, which can usually be found in the distribution or license text itself.


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