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<section begin=description/>
This is a minor feature and bugfix release. The new user functions [http://www.nmr-relax.com/manual/system_cd.html system.cd] and [http://www.nmr-relax.com/manual/system_pwd.html system.pwd] have been added to allow the working directory to be changed and displayed. The [http://www.nmr-relax.com/manual/time.html time] and [http://www.nmr-relax.com/manual/sys_info.html sys_info] user functions have been renamed to [http://www.nmr-relax.com/manual/system_time.html system.time] and [http://www.nmr-relax.com/manual/system_sys_info.html system.sys_info]. The [http://www.nmr-relax.com/manual/structure_delete_ss.html structure.delete_ss user function] has been created to remove the helix and sheet information from the internal structural object. For bugs, the [[R2eff model|R2eff]] dispersion model can now handle missing peaks in subsets of spectra, and the [http://www.nmr-relax.com/manual/structure_read_pdb.html structure.read_pdb ] can now handle multiple structures and multiple models with the merge flag set.
<section end=description/>
* Added support for concatenating atomic positions in the [http://www.nmr-relax.com/manual/structure_load_spins.html structure.load_spins user function]. Together with the spin_num flag set to False, this allows for atomic positions to be read from multiple homologous structures with different PDB atomic numbering. The spin containers will be created from the first structure, in which the spin is defined, and the atomic position from subsequent structures will be appended to the list of current atomic positions.
* Fix for the Structure.test_read_pdb_internal3 system test. With the new atomic position concatenation support, when called sequentially the [http://www.nmr-relax.com/manual/structure_load_spins.html structure.load_spins user function] should always use the same value for the ave_pos argument.
* In the GUI the user functions [http://www.nmr-relax.com/manual/sys_info .html sys_info] and [http://www.nmr-relax.com/manual/time.html time ] are now grouped into a "system" subclass. This is to prepare for other system related functions.
* Added a new 16x16 icon for the oxygen folder-favorites icon.
* Adding a new file at lib/system.py. This file will contain different functions related to python os and system related functions. For example changing directory or printing working directory.
* Updated the frame order auto-analysis for the [http://www.nmr-relax.com/manual/time.html time] → [http://www.nmr-relax.com/manual/system_time.html system.time] user function change.
* Fix for the GUI status bar element widths. Fixed widths in pixels causes text truncation on many systems, depending on the width of the main relax window. Instead variable widths should be used to allow wxPython to more elegantly present the text while minimising truncation.
* Created a system test for catching [https://gna.org/bugs/?24601 bug #24601]. This is , the failure of the optimisation of the [[R2eff model|R2eff]] dispersion model when peaks are missing from one spectrum], as reported by Petr Padrta at https://gna.org/bugs/?24601. The test uses his data and script to trigger the bug.
* Simplified the Relax_disp.test_bug_24601_r2eff_missing_data system test. This is to allow the test to catch [https://gna.org/bugs/?24601 bug #24601] to complete in a reasonable time (2 seconds on one system).
* Fix for the independence of the relax library. As lib.system was using the status object, the library independence was broken. To work around this, the module has simply been shifted into the pipe_control package.
<section begin=bugfixes/>
* Fix for [https://gna.org/bugs/?24218 bug #24218]. This is , the incorrect labelling of alignment tensors by the align_tensor.matrix_angles user function when a subset of tensors is specified]. The logic for the labels was expanded from being only for all tensors to handling subsets.* Bug fix for the [http://www.nmr-relax.com/manual/structure_read_pdb.html structure.read_pdb user function] [https://gna.org/bugs/?24300 bug #24300]. When , when the merge flag is True, and both multiple structures and multiple models are present, the structure.read_pdb user function would fail with a RelaxError]. The problem was that the molecule index was simply not being updated correctly.* Fix for [https://gna.org/bugs/?24601 bug #24601]. This is , the failure of the optimisation of the [[R2eff model|R2eff]] dispersion model when peaks are missing from one spectrum], as reported by Petr Padrta. To handle the missing data, the peak intensity keys are now checked for in the spin container peak_intensities data structure. This is both for the [[R2eff model|R2eff]] model optimisation as well as the data back-calculation. A warning is given when the key is missing. The relaxation dispersion base_data_loop() method has been modified to now yield the spin ID string, as this is used in the warnings. In addition, the Grace plotting code in the relax library was also modified. When peak intensity keys are missing, some of the Grace plots will have no data. The code will now generate a plot for that data set, but detect the missing data and allow an empty plot to be created.
<section end=bugfixes/>