relax is a program designed for the study of the dynamics of proteins or other macromolecules though the analysis of NMR relaxation experiments. 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 and frame order dynamics theories using anisotropic NMR parameters such as RDCs and PCSs, and the investigation of stereochemistry.
Release Notes: This release solved a number of issues, including Python 3 issues, PDB and structure handling, and missing relaxation data causing model-free analyses to fail. Upgrading to this newest version is highly recommended.
Release Tags: Major bugfixes
Tags: Scientific, Analysis, Model-free, RMSD, R1, R2, NOE, Frame order, NMR, relaxation data
Licenses: GPL