Release Notes: This is a major feature and bugfix release which includes a large speed up of all analytic relaxation dispersion models, the correct handling of edge case failures in all models of the dispersion analysis, a number of fixes for the handling of list-type data in the GUI user function windows including the fatal GUI crashes on Mac OS X systems, and many other bug fixes. All users of the dispersion analysis, the relax GUI, or Mac OS X systems are recommended to upgrade to this newest version.
Release Notes: This is a major bugfix release which includes the equations for the "B14" and "B14 full" relaxation dispersion models, from Baldwin 2014 and introduced with relax version 3.2.0, now being calculated correctly, the 'NS CPMG 2-site expanded' model correctly handling edge cases where no exchange is expected, and the structure.delete user function correctly operating when multiple models are loaded into the data store.
Release Notes: This major feature release includes the addition of the new "B14" and "B14 full" relaxation dispersion models (from Baldwin 2014), a complete rearrangement of the module layout of the specific analyses packages, a number of new user functions, documentation improvements (including the addition of a new chapter to the manual for the N-state model or ensemble analysis), and numerous of other features. This is also a major bugfix release, with numerous bug resolved. This includes an essential bugfix for the error calculation in the new relaxation dispersion analysis.
Release Notes: This is a minor feature and bugfix release which includes improvements to the relaxation dispersion chapter of the manual and the addition of a new infrastructure for R1rho data handling in the dispersion analysis.
Release Notes: Changes include a comprehensive tutorial added to the manual that shows the dispersion analysis in the GUI, improved PDB chain ID support, a new mode for running a relax script and then entering the prompt UI mode, multiple file reading by the spectrum.read_intensities user function, and improvements to the relaxation dispersion analysis. A number of major bugs in the dispersion analysis concerning different relaxation delay times for different experiments and for improved handling of the offset have also been fixed. A number of important GUI bugs have also been fixed.
Release Notes: This is a major bugfix release that fixes the complete failure of the NOE analysis for most users, a bug introduced in the last release. All users of 3.1.4 should upgrade to this version.
Release Notes: This is a minor feature and bugfix release which has improvements for the handling of structural data involving multiple molecules or models and improved support in the NOE analysis for replicated spectra. Included are fixes for the failure of the structure.create_diff_tensor_pdb user function for non-spherical diffusion tensors when no Monte Carlo simulations are present and for the failure of the rdc.write user function for back calculated RDC data.
Release Notes: This is a minor documentation release which includes small improvements to the relaxation dispersion analysis in the manual as well as the API documentation for the lib.dispersion package.
Release Notes: This is a minor bugfix release that repairs a number of GUI icons on newer operating systems. It solves a problem caused by accidentally setting an incorrect spectrometer frequency.
Release Notes: This release adds support for reading 3D structures of organic molecules from Gaussian log files, the new lib.periodic_table and lib.nmr modules, the 'NS MMQ 3-site linear', 'NS MMQ 3-site', 'NS R1rho 3-site linear', and 'NS R1rho 3-site' relaxation dispersion models, R1rho dispersion data sets where multiple offsets and multiple spin-lock fields have been collected for each spin, the loading of spins directly from peak lists, and the reading of NMRPipe seriesTab files.