relax 3.3.0

An Open Source software designed for the study of molecular dynamics on Linux OSes
relax is an open source and freely distributed software project that has been designed for studying molecular dynamics by analyzing experimental NMR data, supporting organic molecules, RNA, proteins, sugars, DNA, and many other biomolecules.

Features at a glance

relax supports several NMR theories, implements various data analysis tools as modular components, and it can interface with other programs, such as Dasha and Modelfree. Additionally, it supports a wide range of NMR theories, incorporates several data analysis tools, allows users to visualize data, as well as to interact with other programs.

Offers CLI and GUI environments

Despite the fact that the application comes with both a CLI (Command-line Interface) and GUI (Graphical User Interface) front-end, several third-party graphical user interfaces (GUIs) exist for relax.

Supports various types of analyzes

Among the supported types of analyzes, relax can handle relaxation dispersion, consistency testing of multiple field NMR (Nuclear Magnetic Resonance) relaxation data, N-state model and frame order, model-free analysis, R1 and R2, NOE, RSDM (Reduced Spectral Density Mapping), as well as stereochemistry investigations.

Create very complex scripts

In order to automate the data analysis process, it is possible to create very complex scripts by using building blocks. For this, the developers provide various sample scripts that will help you to understand the script construction and to more easily create your own.

Under the hood, supported OSes and availability

Looking under the hood, we can notice that the program is written entirely in the Python programming language and uses the cross-platform Qt GUI toolkit for its graphical user interface, which means it runs on Linux, Microsoft Windows and Mac OS X operating systems.

The application is available for download as binary archives for many GNU/Linux operating systems, supporting both 32-bit (x86) and 64-bit (x86_64) instruction set architectures, as well as a source tarball.

Reviewed by on September 23rd, 2014


last updated on:
September 23rd, 2014, 12:37 GMT
price:
FREE!
developed by:
The relax team
license type:
GPL (GNU General Public License) 
category:
ROOT \ Science

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softpedia rating

5.0/5

user rating 25

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2.8/5
 

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1 Screenshot
relax
What's New in This Release:
  • Features:
  • Huge speed ups for all of the relaxation dispersion models ranging from 1.452x to 163.004x times faster. The speed ups for the clustered spin analysis are far greater than for the single spin analysis.
  • Implementation of a zooming grid search algorithm for optimisation in all analyses. This includes the addition of the minimise.grid_zoom user function to set the zoom level. The grid width will be divided by 2**zoom_level and centred at the current parameter values. If the new grid is outside of the bounds of the original grid, the entire grid will be translated so that it lies entirely within the original.
read full changelog
 

Application description

relax is a free and open source command-line and graphical application written in Python. It allows you to study molec...

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