relax iconrelax 3.1.5

An Open Source software designed for the study of molecular dynamics on Linux OSes
relax is an open source command-line and graphical application designed for studding molecular dynamics, supporting organic molecules, RNA, proteins, sugars, DNA, and many other biomolecules.

Among the supported types of analyses, relax can handle relaxation dispersion, consistency testing of multiple field NMR relaxation data, N-state model and frame order, model-free analysis, R1 and R2, NOE, RSDM, and stereochemistry investigations.

relax supports several NMR theories, implementes various data analysis tools as modular components, and it can interface with other programs, such as Dasha and Modelfree. Several graphical users interfaces exists for relax.

last updated on:
February 5th, 2014, 8:11 GMT
price:
FREE!
developed by:
The relax team
license type:
GPL (GNU General Public License) 
category:
ROOT \ Science

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relax
What's New in This Release:
  • Changes:
  • Updated the interatom.unit_vectors user function description to add the text '3D structure'. This is in response to the http://thread.gmane.org/gmane.science.nmr.relax.user/1547 relax-users mailing list message and the change is to clarify the usage of the user function.
  • Created the Noe.test_bug_21591_noe_calculation_fail system test. This is to catch bug #21591 submitted by Martin Ballaschk (https://gna.org/users/mab). This is the complete failure of the NOE analysis. The peak lists attached to the bug report have been included in the test suite to create the system test.
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