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<section start=references/>* [*d'Auvergne and Gooley, 2007] d'Auvergne, E. J. and Gooley, P. R. (2007). Set theory formulation of the model-free problem and the diffusion seeded model-free paradigm. ''Mol. BioSyst.'', '''3'''(7), 483–494. (DOI: [http{{#lst://dx.doi.org/10.1039/b702202f 10.1039/b702202f]).Citations|dAuvergneGooley07}}* [*d'Auvergne and Gooley, 2008b] 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{{#lst://dx.doi.org/10.1007/s10858-007-9213-3 10.1007/s10858-007-9213-3]).<section end=references/>Citations|dAuvergneGooley08b}}
| type = Major feature
| date = 28 September 2008
| manual = yes
}}
<section 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://www.nmr-relax.com/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.
No longer is relax constrained to handling a single spin type for the entire system, or a single spin per residue. Multiple structures, multiple residues per structure, and multiple spins per residue can be handled, paving the way for using relax with small organic molecules, with RNA and DNA, and for protein systems using not only <sup>15</sup>N data but also any data from carbons or other spin types. As for the data pipe concept, this is the next logical step in the evolution of relax. The 'run' had significantly diverged from its original meaning, so now it has been renamed to the pipe. Everything in relax is now associated with a data pipe. These pipes can be [http://www.nmr-relax.com/manual/pipe_create.html created], merged with user functions such as [http://www.nmr-relax.com/manual/model_selection.html model_selection], branched by [http://www.nmr-relax.com/manual/pipe_copy.html copying], and the entire contents preserved at any time into an [http://www.nmr-relax.com/manual/results_write.html XML formatted results file] - imagination is the only limitation as to what can be done with these pipes. The progress of relax can be considered as the flow of data through these pipes, with each user function modifying or using the contents.
* Conversion of the relax data storage object into a singleton. Rather than accessing 'self.relax.data', the singleton is now imported as needed.
* Unit tests can now be run individually.
* The optimisation code has been spun out into its own project, minfx (https://{{gna url|gna.org/projects/minfx/}}). This is now a dependency.
* The Boolean values True and False are now used instead of 1 and 0 for user function arguments.
* The class methods of the 'generic_fns' package have been converted to module functions for greater API flexibility.
* User scripts can now be used directly as system tests.
* All threading code has been eliminated in preparation for replacement by the multi_processor code.
* The precision of the <sup>15</sup>N gyromagnetic ratio input into Art Palmer's [[Modelfree4 ]] program has been increased.
* Scientific python is no longer an essential dependency.
* The 'unselect' user function class has been renamed to 'deselect'.
For reference, the following links are also part of the announcement for this release:
* [http://wiki.nmr-relax.com/Relax_1.3.1 Official release notes]
* [https://{{gna link|url=gna.org/forum/forum.php?forum_id=1965 |text=Gna! news item]}}
* [http://article.gmane.org/gmane.science.nmr.relax.announce/21 Gmane]
* [http://www.mail-archive.com/relax-announce%40gna.org/msg00013.html Mail archive]
== References ==
<HarvardReferences />