Trusted, Bureaucrats
4,223
edits
Changes
Addition of labelled section transclusion tags.
= Description =
<onlyincludesection begin=description/>
This relax version is a major feature and bugfix release. It adds the new [http://www.nmr-relax.com/manual/structure_add_model.html structure.add_model], [http://www.nmr-relax.com/manual/structure_rmsd.html structure.rmsd] and [http://www.nmr-relax.com/manual/structure_web_of_motion.html structure.web_of_motion] user functions, enhances the [http://www.nmr-relax.com/manual/structure_load_spins.html structure.load_spins] and [http://www.nmr-relax.com/manual/structure_find_pivot.html structure.find_pivot] functions, and PDB support for the internal structural object has been improved and updated. The new 'lib' package is introduced which will, in the future, be extensive collection of functions and special objects for all types of molecular dynamics analyses. The relax controller in the relax GUI has been improved with line wrapping to allow all messages to be seen. And some major bugs affecting the model-free auto-analysis and PDB file creation have been fixed. 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 2.2.3 <br/>
(11 March 2013, from /trunk) <br/>
http://svn.gna.org/svn/relax/tags/2.2.3
<section end=metadata/>
== Features ==
<section begin=features/>
* Added the mol_name_target argument to the [http://www.nmr-relax.com/manual/structure_load_spins.html structure.load_spins user function]. This allows spins from different molecules to be placed together in the same molecule container in the relax data store.
* Addition of two new user functions - [http://www.nmr-relax.com/manual/structure_add_model.html structure.add_model] and [http://www.nmr-relax.com/manual/structure_rmsd.html structure.rmsd].
* Initialised a new package called 'lib' - this will in the future be an extensive collection of functions, methods, classes, objects, etc. useful for the study of all types of molecular dynamics.
* Line wrapping has been turned on in the relax controller in the GUI so that all text is visible.
<section end=features/>
== Changes ==
<section begin=changes/>
* The relax intro text now includes the repository URL for checked out code. This is for preserving better debugging and logging information, so that it is clear where the code comes from.
* Created the Structure.test_load_spins_mol_cat system test. This will be used to test a new 'mol_name_target' argument to the structure.load_spins user function.
* The files from the Mf.test_bug_20563_missing_ri_error system test are now placed in a temporary directory. This is essential for the test suite to prevent files from going everywhere.
* The frq.seq user function units argument is no longer read-only. This is needed for some of the GUI tests in the frame_order_testing branch.
<section end=changes/>
== Bugfixes ==
<section begin=bugfixes/>
* Fixes for the structure.delete user function. This can now handle no data being present, the spin and interatomic data containers are now have their structural data properly deleted, and printouts have been added so the user knows what has happened.
* Bug fix for the arg_check.is_float_matrix() function for when the dimensions are not given.
* Fix for the package __all__ list checking unit tests - *.pyc files are now skipped.
* Fix for one of the RelaxError messages from the SpinList.add_item() method.
<section end=bugfixes/>
= See also =
[[Category:Release_Notes]]