This is a collection of all of the descriptions for each released relax version.
Version 5 of relax
relax 5.0 series
This is a major feature release that adds initial support for wxPython-Phoenix. It includes a large number of under the hood changes to support more modern Python versions and packages, a lot of polish of the relax text output, improved test suite control, and improved and modernised Travis CI support for automatically checking the integrity of the software.
Version 4 of relax
relax 4.1 series
This is a minor bugfix release that re-enables the reading of Bruker Dynamics Center NOE data files.
This is a minor feature and bugfix release. It includes tooltip improvements in the GUI for the user function windows and wizards, the addition of the newly published primary reference for the frame order analysis, and improved formatting for the bibliography and index of the relax manual.
There have also been improvements for the automated testing of relax by Travis CI. This includes the naming of the build jobs, the execution of the software verification tests, the installation of wxPython to enable GUI testing and the running of the whole test suite, the reordering of the system tests back before the unit tests to avoid hiding some nasty relaxation dispersion bugs, a fix for matplotlib on Mac OS X so that the tests will finally run on this OS, a new build job for the API documentation, and a new build job for the Free Software Foundation copyright validation script.
This is a major bugfix release. The release fixes multiple issues with the relax GUI and with the relaxation dispersion analyses. Please see the notes below for details.
This is a major feature and bugfix release. This is also the first release after the permanent Gna! shutdown and the complete migration of relax's free software infrastructure to SourceForge, the first release after the complicated migration from the original Subversion version control repository to git for the relax source code and the relax website, and the first release after three years of development. In the meantime, a new demo repository has been created containing all the data and instructions required to perform and demonstrate different relax analyses.
Features of this release include the addition of a bash completion script, large speed improvements in the GUI and in the execution of many relax user functions, improved sample scripts, significant relax manual updates, support for newer NMRPipe SeriesTab files, improved Docker images, automated testing of relax via Travis-CI, the new user functions frame_order.decompose, structure.add_helix, and structure.add_sheet, and significant improvements for user function argument checking and user feedback via RelaxErrors.
relax 4.0 series
This is a minor feature and bugfix release. The structure.rmsd user function can now calculate per-atom RMSDs, structure superimposition is now orders of magnitude faster, the relax deployment scripts have been improved and expanded to cover other GNU/Linux systems, OpenMPI system testing scripts have been added, and the relax information printout has been improved. Bugfixes include that the structure.rmsd user function now correctly calculates the RMSD value, and the inversion recovery relaxation curve-fitting equations are now correct.
This is a minor feature and bugfix release. The new user functions system.cd and system.pwd have been added to allow the working directory to be changed and displayed. The time and sys_info user functions have been renamed to system.time and system.sys_info. The 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.
This is a major feature and bugfix release. Features include the new structure.pca user function for performing a principle component analysis (PCA) of a set of structures, handling of replicated R2,eff data points in the dispersion analysis, improvements in the handling of PDB structures, the protection against numpy ≥ 1.9 FutureWarnings for a number of soon to change behaviours in numpy, and addition of a deployment script for the Google Cloud Computing. Bugfixes include an error when loading relaxation data, the CSA constant equation in the manual, missing information in the relax state and results files, loading of certain state files in the GUI, running relax with no graphical display and using matplotlib, BMRB export failure when a spin container is missing data or parameters.
This is a major feature release for a new analysis type labelled 'frame order'. The frame order theory aims to unify all rotational molecular physics data sources via a single mechanical model. It is a bridging physics theory for rigid body motions based on the statistical mechanical ordering of reference frames. The previous analysis of the same name was an early iteration of this theory that was however rudamentary and non-functional. Its current implementation is for analysing RDC and PCS data from an internal alignment to interpret domain or other rigid body motions within a molecule or molecular complex.
Version 3 of relax
relax 3.3 series
This is a minor feature release with improvements to the automatic relaxation dispersion protocol for repeated CPMG data, support for Monte Carlo or Bootstrap simulating RDC and PCS Q factors, a huge speedup of Monte Carlo simulations in the N-state model analysis, and geometric mean and standard deviation functions added to the relax library.
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