relax 3.3.8

An Open Source software designed for the study of molecular dynamics on Linux OSes

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What's new in relax 3.3.8:

  • Changes:
  • Fix for the pipe_control.reset.reset() function when resetting the GUI in non-standard contexts. This is mainly for debugging scripts when simulating a GUI and hence the GUI reset() method does not exist.
  • Created a GUI memory management debugging script for the align_tensor.init user function. This repetitively calls the reset, pipe.create and align_tensor.init user functions, and opening the GUI element for setting alignment tensor elements (the Sequence window). The pympler muppy_log file shows no memory leaks for these user functions on Linux systems.
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GPL (GNU General Public License) 
The relax team
2.8/5 25
ROOT \ Science
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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.

relax was reviewed by , last updated on April 2nd, 2015


#study proteins #study macromolecules #NMR relaxation data #nmr-relax #study #proteins #macromolecules

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