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<section begin=description/>
This is a minor feature and bugfix release. It includes the addition of the new [http://www.nmr-relax.com/manual/structure_sequence_alignment.html structure.sequence_alignment user function] which can use the 'Central Star' multiple sequence alignment algorithm or align based on residue numbers, saving the results in the relax data store. The assembly of structural coordinates used by the [http://www.nmr-relax.com/manual/structure_align.html structure.align], [http://www.nmr-relax.com/manual/structure_atomic_fluctuations.html structure.atomic_fluctuations], [http://www.nmr-relax.com/manual/structure_com.html structure.com], [http://www.nmr-relax.com/manual/structure_displacement.html structure.displacement], [http://www.nmr-relax.com/manual/structure_find_pivot.html structure.find_pivot], [http://www.nmr-relax.com/manual/structure_mean.html structure.mean], [http://www.nmr-relax.com/manual/structure_rmsd.html structure.rmsd], [http://www.nmr-relax.com/manual/structure_superimpose.html structure.superimpose] and [http://www.nmr-relax.com/manual/structure_web_of_motion.html structure.web_of_motion] user functions has been redesigned around this new user function. It will use any pre-existing sequence alignments for the molecules of interest, but default to a residue number based alignment if the [http://www.nmr-relax.com/manual/structure_sequence_alignment.html structure.sequence_alignment user function] has not been used. This version also fixes a system test failure on Mac OS X and Iinf I<sub>∞</sub> parameter text files and Grace graphs are produced by the relaxation curve-fitting auto-analysis for the inversion recovery and saturation recovery experiment types.
<section end=description/>
* Test data directory renaming. The test_suite/shared_data/diffusion_tensor/spheroid directory has been renamed to spheroid_prolate. This is in preparation for creating oblate spheroid diffusion relaxation data.
* Creation of oblate spheroid diffusion relaxation data. This will be used in the Structure.test_create_diff_tensor_pdb_oblate system test.
* Fix for the oblate spheroid diffusion relaxation data. The diffusion parameters are constrained as Dx D<= Dy sub>x<= Dz/sub> ≤ D<sub>y</sub> ≤ D<sub>z</sub>.
* More fixes for the Structure.test_create_diff_tensor_pdb_oblate system test. The initial Diso value is now set to the real final Diso, and the PDB file contents have been updated for the fixed oblate spheroidal diffusion relaxation data.
* Updates for many of the Diffusion_tensor system tests. This is due to the changed directory names in test_suite/shared_data/diffusion_tensor/. The ds.diff_dir variable has been introduced to point to the correct data directory.
* Big bug fix for the GUI tests on MS Windows systems. On MS Windows systems, the GUI tests were unable to complete without crashing. This is because each GUI element requires one 'User object', and MS Windows has a maximum limit of 10,000 of these objects. The GUI tests were taking more than 10,000 and then Windows would say - relax, you die now. The solution is that after each GUI test, all user function windows are destroyed. The user function page is a wx.Panel object, so this requires a Destroy() call. But the window is a Uf_page instance which inherits from Wiz_page which inherits from wx.Dialog. Calling Destroy() on MS Windows and Linux works fine, but is fatal on Mac OS X systems. So the solution is to call Close() instead.
* Fix for the default grid_inc argument for the relaxation curve-fitting auto-analysis. This needs to be an integer.
* Fix for [https://gna.org/bugs/?23244 bug #23244]. The relaxation curve-fitting auto-analysis now outputs text files and Grace graphs for the I0 I<sub>0</sub> parameter and the Iinf I<sub>∞</sub> parameter if it exists.
* Fixes for the package checking unit tests on MS Windows for the target_functions package. The compiled relaxation curve-fitting file is called target_functions\relax_fit.pyd on MS Windows. The package checking was only taking into account *.so compiled files and not *.pyd file.
<section end=bugfixes/>
