relax is a program designed for the study of the dynamics of proteins and other macromolecules though the analysis of experimental NMR data. It supports exponential curve fitting for the calculation of the R1 and R2 relaxation rates, calculation of the NOE, reduced spectral density mapping, the Lipari and Szabo model-free analysis, study of domain motions via the N-state model (or ensemble analysis) and frame order dynamics theories using anisotropic NMR parameters such as RDCs and PCSs, the investigation of stereochemistry in dynamic ensembles, and the analysis of relaxation dispersion.
|Tags||Scientific Analysis Model-free RMSD R1 R2 NOE Frame order NMR relaxation data relaxation dispersion|
|Operating Systems||OS Independent|
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.