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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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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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Relax-fit script mode - error analysis for parameters

See manual

Only one technique adequately estimates parameter errors when the parameter values where found by optimisation - Monte Carlo simulations.
In relax this can be implemented by using a series of functions from the monte_carlo user function class.

Firstly the number of simulations needs to be set

monte_carlo.setup(number=500)

For each simulation, randomised relaxation curves will be fit using exactly the same methodology as the original exponential curves.
These randomised curves are created by back calculation from the fitted model parameter values and then each point on the curve randomised using the error values set earlier in the script

monte_carlo.create_data()

As ..→

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