relax - Summary
relax
The software package 'relax' is designed for the study of molecular dynamics through the analysis of experimental NMR data. Organic molecules, proteins, RNA, DNA, sugars, and other biomolecules are all supported. 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 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 data.
Websites
The relax homepage is located at http://www.nmr-relax.com. The relax wiki is located at http://wiki.nmr-relax.com.
Details
Registration Date: Thu Dec 8 05:25:14 2005
License: GNU General Public License V3 or later
Development Status: 5 - Production/Stable
posted by bugman, Sat Oct 29 10:42:11 2016 - 0 replies
Description
This is a minor feature and bugfix release. The structure.rmsd user function can now calculate per-atom RMSDs, structure superimposition is now orders of magnitude faster, ...
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posted by bugman, Fri May 13 17:02:54 2016 - 1 reply
Description
This is a minor feature and bugfix release. The new user functions system.cd and system.pwd have been added to allow the working ...
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posted by bugman, Tue Dec 15 13:43:21 2015 - 1 reply
Description
This is a major feature and bugfix release. Features include the new structure.pca user function for performing a principle component analysis (PCA) of a set of structures, ...
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posted by bugman, Wed Oct 14 13:11:36 2015 - 1 reply
Description
This is a major feature release for a new analysis type labelled 'frame order'. The frame order theory aims to unify all rotational molecular physics data sources via a single mechanical model. It is a bridging physics theory ...
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