Open main menu

Changes

Relax 1.3.1

326 bytes added, 20:03, 10 September 2014
Addition of labelled section transclusion tags.
= Description =
<onlyincludesection begin=description/>
Finally, it's arrived! The new and improved relax is finally ready for release. It's taken 2 years to get here, 4400 individual changes, and a complete rewrite of almost every last line of code - all in all an impressive team effort. Although the jump from [[relax 1.3.0|1.3.0]] to [[relax 1.3.1|1.3.1]] appears small, the changes are so expansive that hardly any code is preserved between these versions. In addition, the release includes all changes which occurred between relax versions [[relax 1.2.10|1.2.10]] and [[relax 1.2.14|1.2.14]]. For this shiny new version, we have had complete redesign of relax. This started all the way back in October of 2006 with the post https://mail.gna.org/public/relax-devel/2006-10/msg00053.html. This overhaul involves the new molecule-residue-spin data structure and the elimination of the 'run' concept replacing it with the data pipe paradigm.
Note that in this version, not all parts of relax are currently functional. Many, such as relaxation curve fitting, model-free analysis, reduced spectral density mapping, consistency testing, etc. are fully functional but if you do uncover a non-operational user function, please submit a bug report or use the stable [[relax 1.2.14|1.2.14]] version. Conversion of the last parts of relax to the new design will not be too hard, especially if all issues are reported. Note that this is a development line and that scripts written for version 1.3.1 may not work automatically in future 1.3 versions.
<section end=description/onlyinclude>
= Download =
<section begin=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).
<section end=download/>
= CHANGES file =
<section begin=metadata/>
Version 1.3.1
(28 September 2008, from /1.3)
http://svn.gna.org/svn/relax/tags/1.3.1
<section end=metadata/>
== Features ==
<section begin=features/>
* Complete redesign of relax (https://mail.gna.org/public/relax-devel/2006-10/msg00053.html).
* Extension of the Grace plotting abilities to include series data such as relaxation exponential curves.
* All analysis types, present and future, are automatically supported through the reading and writing of the XML results file.
* The XML results file stores floats at full 64 bit precision in an XML attribute using the IEEE-754 byte array.
<section end=features/>
== Changes ==
<section begin=changes/>
* The RelaxError and RelaxWarning systems have been redesigned. The objects are no longer placed into __builtin__ but must now be imported.
* The unit and system test frameworks have been expanded to 1046 and 55 tests respectively covering most aspects of relax usage.
* Big updates to the relax manual.
* PDB files can be specified without the '.pdb' ending.
<section end=changes/>
== Bugfixes ==
<section begin=bugfixes/>
* The unit test and system test frameworks are now functional.
* The failure of reduced spectral density mapping has been identified and fixed (bug #9238, bug #9562).
* The relax_data.display() user function is now functional again (bug #11383).
* MS Windows with Python 2.5 is now supported.
<section end=bugfixes/>
= References =
<section start=references/>
* [*d'Auvergne and Gooley, 2008] d'Auvergne, E. J. and Gooley, P. R. (2008). Optimisation of NMR dynamic models II. A new methodology for the dual optimisation of the model-free parameters and the Brownian rotational diffusion tensor. ''J. Biomol. NMR'', '''40'''(2), 121-133. (DOI: [http://dx.doi.org/10.1007/s10858-007-9213-3 10.1007/s10858-007-9213-3]).
<section end=references/>
<HarvardReferences />
 
= See also =
[[Category:Release_Notes]]
Trusted, Bureaucrats
4,228

edits