relax 3.3.4

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relax version 3.3.4
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Keywords Relaxation curve-fitting, state file
Release type Major feature and bugfix
Release date 3 December 2014

The PDF version of the relax 3.3.4 user manual The relax 3.3.4 user manual

Description

This is a major feature and bugfix release, finally adding support for the saturation recovery and inversion recovery R1 experiments and including a major bug fix for storing multi-dimensional numpy data structures as IEEE 754 byte arrays in the XML output of the relax state and results files.


Download

The new relax versions can be downloaded from http://www.nmr-relax.com/download.html. 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, http://www.nmr-relax.com/manual/relax_distribution_archives.html).


CHANGES file

Version 3.3.4
(3 December 2014, from /trunk)
http://svn.gna.org/svn/relax/tags/3.3.4


Features

  • Numerous improvements for the relax_fit.select_model user function.
  • Support for the saturation recovery experiment in the relaxation exponential curve-fitting analysis.
  • Support for the inversion recovery experiment in the relaxation exponential curve-fitting analysis.
  • Added a section to the start of the relaxation curve-fitting chapter of the manual to include descriptions of all supported models.
  • Addition of a button to the R1 and R2 GUI analyses for selecting the desired exponential curve model via the relax_fit.select_model user function.


Changes


Bugfixes

  • Bug fix for the pymol.view user function for when no PDB file exists. The user function would fail with an AttributeError when the currently loaded data does not exist as a PDB file. This is now caught and the non-existent PDB is no longer displayed. A better solution might be to dump all the current structural data into a temporary file and load that, all within a try-finally statement to be sure to delete the temporary file. This solution may not be what the user is interested in anyway.
  • Simple fix for bug #23017, the multidimensional numpy arrays are not being stored as IEEE 754 arrays in the XML state and results files. The problem was a relatively recent regression caused by a change to the is_float_matrix() function of the lib.arg_check module. It was simply that the default dims keyword argument value was changed from None to (3, 3). Therefore any call to the function without supplying the dims argument would fail if the matrix was not of the (3, 3) shape.


Links

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

Softpedia also has information about the newest relax releases:


Announcements

If you would like to receive announcements about new relax versions, please subscribe to the relax-announce mailing list using the relax-announce info page. This list only receives ~10 emails per year. It is archived at Gmane (thread, blog, NNTP, RSS), in the local archives, in The Mail Archive, and in the MARC (Mailing list ARChives).


See also