Trusted, Bureaucrats
4,228
edits
Changes
Addition of labelled section transclusion tags.
= Description =
<onlyincludesection begin=description/>
This major feature release introduces the new concept of a container for data linking two atoms or spins - the interatomic data design. This is for NMR data such as the magnetic dipole-dipole interaction between two spins (including relaxation and RDC data) and NOESY data. This design significantly extends relax's flexibility and opens up new analysis type possibilities. As this is a highly invasive change, touching almost all of the relax analysis types and modifying the GUI, the minor version number has been incremented and all of the 2.0.x version numbering has been skipped. Additional features and changes include the update of the relax copyright license to GPLv3, support for absolute or signless RDCs has been added, and elimination of many GUI bugs in MS Windows. Due to the large number of improvements, changes, and bug fixes, all users are recommended to upgrade.
<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 2.1.0
(12 July 2012, from /trunk)
http://svn.gna.org/svn/relax/tags/2.1.0
<section end=metadata/>
== Features ==
<section begin=features/>
* Update of relax to the GNU General Public License version 3.
* Introduction of the interatomic data container design for NMR data such as the magnetic dipole-dipole interaction between two spins (including relaxation and RDC data) and NOESY data.
* Support for absolute or signless RDC values.
* Creation of a fast molecule, residue and spin data lookup framework using private metadata.
<section end=features/>
== Changes ==
<section begin=changes/>
* Updated the journal reference for the published lactose conformational search scripts.
* Shifted some of the sample scripts into the analysis specific sub-directories.
* Improved the debugging drawing for the about GUI elements.
* Hack for the relax_fit C module compilation to detect supported CPUs for Mac OS X cross compilation.
<section end=changes/>
== Bugfixes ==
<section begin=bugfixes/>
* Bug fix for the model-free GUI auto-analysis GUI test on MS Windows - the wizards for the CSA value and nuclear isotopes were experiencing racing conditions on MS Windows.
* Bug fix for MS Windows for the deletion of temporary files in the system tests. For certain Windows/Python combinations, a WindowsError was being raised saying that the file cannot be deleted as it is being used by another process.
* Bug fix - the spin_id arg for the relax_data.read user function now actually does something. This argument is passed into the pack_data() function, where it is used to match against the spins matching each file line. Only if there is a match, is the relaxation data loaded for that spin.
* Fixes for the reading of relax 1.2 results files. The new 'H' spin containers are now deselected, and the simulation structure creation has been reverted.
<section end=bugfixes/>
= See also =
[[Category:Release_Notes]]