relax

relax is a Python-based application that targets the study of molecular dynamics, providing a comprehensive set of tools for analyzing NMR data. Relying on the experience of professional spectroscopists, relax comes with support for a variety of biomolecules, DNa, RNA, organic molecules, sugars or proteins.

relax implements a system that can process data according to the Lipari and Szabo model, determine the Rx NMR relaxation rates, perform consistency testing, calculate NOE NMR relaxation data, perform density mapping, and stereochemistry studies. It can work with both numeric and analytic models for CPMG-type experiments, and offers users accurate optimisation algorithms to work with.

The advantage of relax is that it is compatible with input data created by various other NMR software solutions, while also generating output results in a wide range of formats. Resulting data can be visualized by interacting with third-party programs, such as MOLMOL, Grace, and OpenDX.

Its flexible and variate array of data analysis and processing tools enable users to perform Monte Carlo simulations, study domain motions, and perform relaxation dispersion analysis using single, double, zero, multiple and combined quantum CPMG-type data.

relax runs in the command prompt and uses Python as its programming language. It supports scripting, allowing the automation of data analysis. Alternatively, it comes with an intuitive GUI that offers one-click access to a plethora of user functions, making it easier to work with. The integrated wizards can guide you through all the needed steps when performing an analysis.