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Revision as of 21:20, 20 September 2020 by Bugman (talk | contribs) (Fix for the DynamicPageList element.)
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Welcome to the relax Wiki.
The community-run support site for relax, a program for the study of molecular dynamics using experimental NMR data.
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What's new?

News & Updates
Migration to SourceForge After the Gna! shutdown at the start of 2017, relax has finally in 2019 been fully migrated to the SourceForge infrastructure.
Gna! is permanently shut down! A migration to another open source infrastructure is planned. This will include web hosting for http://www.nmr-relax.com, source code repositories, bug and other trackers, new reports, download pages, and possible a svn to git conversion.
Tutorial added Tutorial for sorting data stored as numpy to on-resonance R1rho analysis
Version 4 of relax With the latest relax release merging in years of developments in the frame order analysis, the major number has been incremented to relax 4.
Tutorial added Tutorial for manual regarding the relaxation dispersion auto-analysis in the GUI
Tutorial added Tutorial for R1/R2 Relaxation curve-fitting analysis on varian recorded as fid interleaved
Matplotlib example added Matplotlib example
Tutorial added Relaxation dispersion analysis R1_rho recorded on varian
Tutorial added Relaxation dispersion analysis cpmg fixed time recorded on varian as fid interleaved
Tutorial added Adding relaxation dispersion models to relax
wiki namespace changed The wiki is now placed at: http://wiki.nmr-relax.com as of 19 of July 2013
GPL License The License has been changed to GPL v3.
New Wiki This is the new wiki
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%PAGE%

The ordering of the steps here is very important:

System / unit test development

  • Assemble an input data set.
  • A real data set can be used but, if real data is used, a second data set calculated from the equations (synthetic data) would be good for the sanity of the developer.
  • Write a 'hypothetical' relax script to perform a basic analysis (this will of course not work until the steps below have been completed).
  • Calculate by hand what some of the results should be.
  • Add the data to the test_suite directories and create a system/unit test which runs the script and checks the hand-calculated values to machine precision (~1e-15).

Data input

  • If the data is completely new and is complex, this is the hardest part.
  • "User functions" need to be created to read new input data types (file or direct value ..→
Random screenshots
relax starting interface
The analysis selection wizard
Steady-state NOE analysis
R1 analysis
R2 analysis
Model-free analysis
The relax controller
Spin viewer window
Results viewer window
Pipe editor window
relax prompt window
About GUI screen
About relax screen