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Addition of labelled section transclusion tags.
= Description =
<onlyincludesection begin=description/>
This is a major feature and bugfix release. It includes a large speed up of all analytic [[:Category:relaxation dispersion|relaxation dispersion]] models, the correct handling of edge case failures in all models of the dispersion analysis, a number of fixes for the handling of list-type data in the GUI user function windows including the fatal GUI crashes on Mac OS X systems, and many other bug fixes. Please see below for a full list of [[#features|features]], [[#changes|changes]] and [[#bugfixes|bugfixes]]. All users of the dispersion analysis, the relax GUI, or Mac OS X systems are recommended to upgrade to this newest version.
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= 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 3.2.2 <br/>
(5 June 2014, from /trunk) <br/>
http://svn.gna.org/svn/relax/tags/3.2.2
<section end=metadata/>
== Features ==
<section begin=features/>
* Large speedups of all analytical relaxation dispersion models by converting the R<sub>2eff</sub> calculations and value error checking from single values to numpy arrays.
* Edge cases where function failures occur are now properly handled for all analytical relaxation dispersion models.
* Completion of the [http://www.nmr-relax.com/manual/frame_order_pdb_model.html frame_order.pdb_model user function] backend for the frame order PDB representation.
* relax will now detect when files with *.gz or *.bz2 file extensions are being created and automatically gzip or bzip compress the file.
<section end=features/>
== Changes ==
<section begin=changes/>
* Small speed up for all the isotropic cone and pseudo-elliptic cone frame order models. The vector length calculation for the numeric PCS integration has been simplified and shifted outside of a loop to take advantage of the speed of numpy.
* All three file arguments for the [http://www.nmr-relax.com/manual/pymol_frame_order.html pymol.frame_order user function] are now optional.
* Large improvements for the detection of cross-compilation on Mac OS X systems. The tests for different architecture support now follows the ideas discussed in the post http://thread.gmane.org/gmane.science.nmr.relax.devel/5785/focus=5820. In summary, for each architecture a simple C file is created, compiled with 'gcc -arch xyz', and the resultant binary file tested. To support 64-bit compilation on 32-bit systems, all previously successful architectures are also included in the gcc command. The change allows the 'ppc64' architecture to be reintroduced.
* Fixed the docstring for the det_arch() method of the sconstruct script. This is for the true cross-compilation detection on Mac OS X.
<section end=changes/>
== Bugfixes ==
<section begin=bugfixes/>
* Fix for the lib.geometry.lines.closest_point_ax() function for when the two points are the same. If the point on the line and point in the 3D space are the same, then this function used to return an array of NaN values. This situation is now caught and the point in the 3D space is returned.
* Fix for the heterogen section of the internal structural object write_pdb() method. A number of checks were performed to see if the PDB heterogen records were the same for all structures, but this is meaningless as the structures can of course be different.
* Fix for the relax start up detection of missing Python packages. The dep_check module is now imported first, as it used to be. This is required to check if all required modules are installed and to present understandable messages to the user rather than cryptic ImportError messages with tracebacks.
* Fix for [https://gna.org/bugs/?22033 bug #22033, the inability to use other optimisation algorithms in the dispersion analysis]. As mentioned in comment #2, the solution is to raise a RelaxError explaining that only 'simplex' optimisation is possible for the dispersion analysis as the gradients are not derived and implemented in relax.
<section end=bugfixes/>
= Links =
<section begin=links/>
For reference, the following links are also part of the announcement for this release:
* [http://wiki.nmr-relax.com/Relax_3.2.2 Official release notes]
* [https://mail.gna.org/public/relax-announce/2014-06/msg00000.html Local archives]
* [http://marc.info/?l=relax-announce&m=140200863927642&w=2 MARC]
<section end=links/>
= Announcements =
