Relax is a software tool for analyzing NMR relaxation data in order to study the dynamics of macromolecules like proteins, that has been specifically developed for this purpose.
nmr-relax is an exceptional software designed for the study of the dynamics in proteins or other macromolecules using NMR relaxation data. Its core functionality is based on the Lipari and Szabo model-free analysis of R1 and R2 relaxation rates, as well as the steady-state heteronuclear NOE. The software supports various features, including relaxation curve fitting to calculate the R1 and R2 rates and their errors, calculating the NOE and its error, and reduced spectral density mapping.
The software is highly flexible and can accept input in any format produced by other NMR software without any difficulty. It can also create input files, control and read output from various programs like Modelfree and Dasha, and output results in different formats. The data visualization is done with grace, OpenDX, and MOLMOL. All analysis tools from optimization to model selection to Monte Carlo simulations are built-in, which makes additional programs optional.
The software's flexibility stems from its Python scripting capabilities and Python prompt interface. Complex scripts can be created using simple building blocks or fully automating data analysis. Users can incorporate any of Python's powerful features or functions to customize the script. Sample scripts have been provided to help users understand script construction.
To use this software, users only need to have Python 2.4 installed.
In the latest release, preliminary support for RNA/DNA relaxation data and Grace compatibility for reduced spectral density mapping were added. The release also fixed model selection failures in the local tm models, model elimination when using the "m0" model, and reading model-free results files from version 1.2.4 and earlier. The new version is a significant improvement in software functionality, and users can expect more updates shortly.
The software is highly flexible and can accept input in any format produced by other NMR software without any difficulty. It can also create input files, control and read output from various programs like Modelfree and Dasha, and output results in different formats. The data visualization is done with grace, OpenDX, and MOLMOL. All analysis tools from optimization to model selection to Monte Carlo simulations are built-in, which makes additional programs optional.
The software's flexibility stems from its Python scripting capabilities and Python prompt interface. Complex scripts can be created using simple building blocks or fully automating data analysis. Users can incorporate any of Python's powerful features or functions to customize the script. Sample scripts have been provided to help users understand script construction.
To use this software, users only need to have Python 2.4 installed.
In the latest release, preliminary support for RNA/DNA relaxation data and Grace compatibility for reduced spectral density mapping were added. The release also fixed model selection failures in the local tm models, model elimination when using the "m0" model, and reading model-free results files from version 1.2.4 and earlier. The new version is a significant improvement in software functionality, and users can expect more updates shortly.
What's New
Version 1.2.8: N/A