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Links to all of the relax manual user function pages.
<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' dispersion model can now handle missing peaks in subsets of spectra, and the structure.read_pdb can now handle multiple structures and multiple models with the merge flag set.
<section end=description/>
<section begin=features/>
* Addition of 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 ] to allow the working directory to be changed and displayed.* Addition of the [http://www.nmr-relax.com/manual/structure_delete_ss.html structure.delete_ss user function ] to remove the helix and sheet information from the internal structural object.
<section end=features/>
* A number of updates for the release checklist document. This should make it easier to replicate the full release process.
* Update the release checklist document. The version number at http://wiki.nmr-relax.com/Template:Current_version_relax also needs to be updated for each release.
* Added a check for the total argument for the [http://www.nmr-relax.com/manual/frame_order_distribute.html frame_order.distribute user function]. The maximum value is 9999, as the PDB format cannot accept more models.* Creation of the [http://www.nmr-relax.com/manual/structure_delete_ss.html structure.delete_ss user function]. This simply resets the helices and sheets data structures in the internal structural object to [].
* Updated the copyright notices for 2016.
* Created a short Info_box copyright string for displaying in the main GUI window. This shows the full range of copyright dates.
* Added the spin_num boolean argument to the [http://www.nmr-relax.com/manual/structure_load_spins.html structure.load_spins user function]. Setting this flag to False will cause the spin number information to be ignored when creating the spin containers. This allows for better support of homologous structures but with different PDB atom numbering. The default flag value is True, preserving the old behaviour.* 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 userfunctions sys_info() and 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.
* Deleting the old folder-favorites icon.
* Adding a new graphics variable: WIZARD_OXYGEN_PATH, to use oxygen icons with size of 200px.
* Adding the new user function [http://www.nmr-relax.com/manual/system_cd.html system.cd]. This is to change the current working directory.
* Adding a new 200px of oxygen folder-favorites icon. This is to be used in the wizard image.
* Adding a user function translation for: This is to catch the new naming of these functions.
* Adding a new lib.system.pwd() function, to print and return the current working directory.
* Adding a new user function [http://www.nmr-relax.com/manual/system_pwd.html system.pwd() ] to print/display the current working directory.
* Adding new 16x16 px and 200px of the oxygen icon folder-development. This icon is used for displaying the current working directory.
* Adding a relax GUI menu for changing the current working directory.
* Adding a toolbar button for changing the current working directory.
* Adding a verbose flag to lib.system.pwd() function.
* Changing to a filedialog for the user function [http://www.nmr-relax.com/manual/system_cd.html system.cd].
* Adding an observer for current working directory.
* Modifying the user function [http://www.nmr-relax.com/manual/system_cd.html system.cd ] not to show the result to STDOUT.
* Letting the lib.system.cd function notify the observer, when changing directory.
* Letting the current working directory be printed in the statusbar in the bottom.
* Optimising the width of the statusbar.
* When the user function script is called, a notification of pipe_alteration is made. This will force the GUI to update, and make sure that it is up to-date.
* 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' 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.
<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 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' 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 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/>
