Release Notes: This is a major feature release. It adds the ability to run relax on clusters or grids of computers via the MPI protocol. This merges in Gary Thompson's multi-processor branch, which was started all the way back in 2007. The "multi" package introduces two processor fabrics, the standard uni-processor mode and the mpi4py mode for using the MPI protocol with Python. The model-free analysis code has been parallelized to take advantage of the multi-processor modes, significantly speeding up calculations on clusters with near perfect scaling efficiency.
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.
Release Notes: This is a minor feature release. Improvements include the creation of Rex value files scaled to all spectrometer frequencies for the model-free auto-analysis and some new capabilities in the structural API.