relax 3.3.6

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

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What's new in relax 3.3.6:

  • This is a minor feature and bugfix release. It includes the addition of the new structure.sequence_alignment user function which can use the 'Central Star' multiple sequence alignment algorithm or align based on residue numbers, saving the results in the relax data store. The assembly of structural coordinates used by the structure.align, structure.atomic_fluctuations, structure.com, structure.displacement, structure.find_pivot, structure.mean, structure.rmsd, structure.superimpose and structure.web_of_motion user functions has been redesigned around this new user function. It will use any pre-existing sequence alignments for the molecules of interest, use no sequence alignment if only structural models are selected, and default to a residue number based alignment if the structure.sequence_alignment user function has not been used. Bug fixes include a system test failure on Mac OS X, and Iinf parameter text files and Grace graphs are now produced by the relaxation curve-fitting auto-analysis for the inversion recovery and saturation recovery experiment types.
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LICENSE TYPE:
GPL (GNU General Public License) 
OUR RATING:
5.0/5
DEVELOPED BY:
The relax team
USER RATING:
2.8/5 25
HOMEPAGE:
www.nmr-relax.com
CATEGORY:
ROOT \ Science
1 relax Screenshot:
relax
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 February 5th, 2015

requirements

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

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