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The community-run support site for relax, a program for the study of molecular dynamics using experimental NMR data.
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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 ..→
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Steady-state NOE analysis
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