Free Software Foundation!

Join now

Difference between revisions of "Relax"

From Free Software Directory
Jump to: navigation,
m (Improved the documentation text.)
m (Updated the version number to 3.0.1.)
(12 intermediate revisions by 2 users not shown)
Line 2: Line 2:
 
|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
Line 11: Line 11:
 
|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
+
|Version identifier=3.0.1
|Version date=2013/02/12
+
|Version date=2013/10/17
 
|Version status=mature
 
|Version status=mature
|Version download=http://download.gna.org/relax/relax-2.2.2.src.tar.bz2
+
|Version download=http://download.gna.org/relax/relax-3.0.1.src.tar.bz2
 
|Status=
 
|Status=
 
|Is GNU=No
 
|Is GNU=No
 
}}
 
}}
 
{{Project license
 
{{Project license
|License=GNU GPL v3+
+
|License=GPLv3orlater
 +
|License verified by=Jgay
 +
|License verified date=2013/03/08
 
}}
 
}}
 
{{Person
 
{{Person
Line 31: Line 33:
 
|Resource kind=Homepage
 
|Resource kind=Homepage
 
|Resource URL=http://www.nmr-relax.com
 
|Resource URL=http://www.nmr-relax.com
 +
}}
 +
{{Resource
 +
|Resource audience=User
 +
|Resource kind=General
 +
|Resource URL=http://wiki.nmr-relax.com
 
}}
 
}}
 
{{Resource
 
{{Resource
Line 45: Line 52:
 
|Resource audience=User
 
|Resource audience=User
 
|Resource kind=Bug Tracking
 
|Resource kind=Bug Tracking
|Resource URL=https://gna.org/bugs/?group=relax
+
|Resource URL=https://gna.org/bugs/%3Fgroup=relax
 
}}
 
}}
 
{{Resource
 
{{Resource
 
|Resource audience=User
 
|Resource audience=User
 
|Resource kind=Support
 
|Resource kind=Support
|Resource URL=https://gna.org/support/?group=relax
+
|Resource URL=https://gna.org/support/%3Fgroup=relax
 
}}
 
}}
 
{{Resource
 
{{Resource
 
|Resource audience=User
 
|Resource audience=User
 
|Resource kind=Mailing List Info/Archive
 
|Resource kind=Mailing List Info/Archive
|Resource URL=http://gna.org/mail/?group=relax
+
|Resource URL=http://gna.org/mail/%3Fgroup=relax
 
}}
 
}}
 
{{Resource
 
{{Resource
Line 79: Line 86:
 
{{Software category
 
{{Software category
 
|Interface=command-line, x-window-system
 
|Interface=command-line, x-window-system
 +
|Programming-language=python
 
|Science=biology, chemistry, physics
 
|Science=biology, chemistry, physics
 +
|Use=science
 +
|Version-control=subversion
 +
|Works-with=text, xml
 
}}
 
}}
 
{{Software prerequisite
 
{{Software prerequisite
Line 92: Line 103:
 
|Prerequisite kind=Weak prerequisite
 
|Prerequisite kind=Weak prerequisite
 
|Prerequisite description=wxPython
 
|Prerequisite description=wxPython
 +
}}
 +
{{Software prerequisite
 +
|Prerequisite kind=Weak prerequisite
 +
|Prerequisite description=scipy
 +
}}
 +
{{Software prerequisite
 +
|Prerequisite kind=Weak prerequisite
 +
|Prerequisite description=mpi4py
 
}}
 
}}
 
{{Featured}}
 
{{Featured}}

Revision as of 07:41, 18 October 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
Edward d'Auvergne Project Admin


Resources and communication

Audience Resource type URI
User Bug Tracking https://gna.org/bugs/%3Fgroup=relax
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/


Software prerequisites

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



Entry




















































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.


Personal tools
Namespaces

Variants
Actions
Navigation
Contribute