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Addition of labelled section transclusion tags.
= Description =
<onlyincludesection begin=description/>
This is a major bug fix release focusing on memory usage, performance, and IO. The parallised model-free optimisation code (for running on clusters/grids using the multi-processor package) was causing relax to crash on 32-bit systems due to the system running out of virtual memory. The new version should only [https://mail.gna.org/public/relax-users/2012-03/msg00037.html require about a third of the memory] of [[relax 1.3.13]]. The parts of relax dealing with atomic or spin specific data (reading of spin systems from PDB files, reading and writing of spin specific data, etc.) have been rewritten for efficiency and should now be many orders of magnitude faster for certain work loads. There have also been large improvements to the multi-processor framework, specifically the creation of a public API and a reference implementation. In addition there are improvements for IO capture on both the uni-processor and mpi4py-processor fabrics for relaying slave messages back to the master, better integration with the GUI and compatibility with the logging and teeing command line flags. Other changes include expansion of the relax information print out, support for numpy data structures in save files, and the addition of the [http://www.nmr-relax.com/manual/rdc_delete.html rdc.delete] and [http://www.nmr-relax.com/manual/pcs_delete.html pcs.delete] user functions. Feel free to upgrade if you would like the benefits of this new version.
<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 1.3.14
(19 March 2012, from /1.3)
http://svn.gna.org/svn/relax/tags/1.3.14
<section end=metadata/>
== Features ==
<section begin=features/>
* An expanded system information printout (from 'relax -i').
* Improvements to the multi-processor implementation, including creation of a public API and a reference implementation.
* Speed ups of a number of user functions involved in looping over atomic or spin specific data - this can be significant if a lot of structural operations are performed, or a large number of structures are required.
* Redesigned how spin parameters are handled in the specific analyses (which includes parameter name changes).
<section end=features/>
== Changes ==
<section begin=changes/>
* The MS Windows text wrapping width has been changed from 80 to 79 - this now fits the cmd prompt.
* The program intro print out and prompt UI help system is using the new Status.text_width variable to wrap text.
* Added the validate_models() method to the structural API - this is used to check that the models are 100% consistent.
* Added the centroid argument to the structure.superimpose user function - this allows for the superimposition of structures assuming a pivoted motion.
<section end=changes/>
== Bugfixes ==
<section begin=bugfixes/>
* Fix for the title of the analysis selection wizard GUI element.
* Fix for the MemoryError during the "final" run of d'Auvergne Protocol affecting 32-bit systems (bug #19528).
* Fix for the numbering of the TER record and subsequence HETATM records in the PDB file creation. The structure.write_pdb user function now creates the correct TER record after the ATOM records, and the HETATM records are renumbered if needed.
* Bug fix for the compilation of the user manual. The molecule user function class used the temporary variable i, which was causing the fetch_docstrings script to fail.
<section end=bugfixes/>
= See also =
[[Category:Release_Notes]]
