Release Notes: This release focuses on more complete Mac OS X support and the prettifying all of the user interfaces (UIs). The new features include full Mac OS X support via fink and the Mac application DMG file (for Leopard, Snow Leopard and Lion with PPC, i386, and x86_64 CPUs), colored terminal output in the prompt/script UI modes, the ability to run the full relax test suite within the GUI mode, general improvements throughout the GUI, support for wxPython 2.9, faster program startup, improved formatting of the HTML version of the user manual, and expansion of the multi-processor framework.
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.
Release Notes: This release adds relaxation dispersion analysis. This support is complete and includes almost all analytic and numeric relaxation dispersion models in existence. It includes support for single, zero, double, and multiple quantum CPMG data and off-resonance R1rho data. An automated protocol has been developed to simplify the analysis, and a GUI has been designed around this auto-analysis. Relaxation dispersion calculations have been parallelized at the spin cluster and Monte Carlo simulation level for speed.
Release Notes: This release includes better pseudo-atom support, support for the value.write user function to allow model information to be written to a file, improvements to the 2D Grace plots, and fixes for missing log messages when running on a cluster using OpenMPI.
Release Notes: The handling of peak lists has been enhanced and chemical shifts can now be read into relax, there are a number of improvements throughout the GUI, and a number of minor bugs have been solved.
Release Notes: This release marks a major shift of relax towards becoming a scientific computing environment specialized for the study of molecular dynamics using experimental biophysical data. It is designed to be a replacement for numerical computational environments such as GNU Octave, MATLAB, Mathematica, Maple, etc. Most changes are for the power user, as they are in the backend. The infrastructure changes are comprehensive and include the reorganisation of most of the relax code base, a large expansion of the relax library, and general improvements and fixes throughout.