relax 3.3.1

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This is a minor feature and bugfix release. It includes the addition of the error_analysis.covariance_matrix, structure.align, and structure.mean user functions and expanded functionality for the and structure.delete user functions. Many operations involving the internal structural object are now orders of magnitude faster, with the interatom.define user function showing the greatest speed ups. There are also improvements for helping to upgrade relax scripts to newer relax versions. The numdifftools package is now bundled with relax for allowing numerical gradient, Hessian and Jacobian matrices to be calculated. And the release includes the start of a new protocol for iteratively analysing repetitive relaxation dispersion experiments.


The new relax versions can be downloaded from If binary distributions are not yet available for your platform and you manage to compile the binary modules, please consider contributing these to the relax project (described in section 3.6 of the relax manual,


Version 3.3.1
(9 October 2014, from /trunk)





For reference, the announcement for this release can also be found at following links:

Softpedia also has information about the newest relax releases:


If you would like to receive announcements about new relax versions, please subscribe to the relax announcement mailing list. This list only receives ~10 emails per year. It is archived at the SourceForge archives and in The Mail Archive.


  • [Tollinger et al., 2001] ^ Tollinger, M., Skrynnikov, N. R., Mulder, F. A. A., Forman-Kay, J. D., and Kay, L. E. (2001). Slow dynamics in folded and unfolded states of an sh3 domain. J. Am. Chem. Soc., 123(46), 11341-11352. (DOI: 10.1021/ja011300z)

See also