NMRAnalysis.jl

A Julia package for analysis of NMR data, with particular focus on relaxation, diffusion, screening and protein dynamics experiments.

Note

This package is under active development and its features and syntax may change.

NMRAnalysis.jl provides tools for analysing various types of NMR experiments commonly used in biomolecular NMR:

1D diffusion (diffusion())
1D TRACT (tract())
1D 19F R1rho relaxation dispersion (r1rho())
2D relaxation measurements (T1, T2) (relaxation2d(experimentfiles, relaxationtimes))
Heteronuclear NOE (hetnoe2d(planefilenames, saturation))

Some utility functions are also provided:

viscosity(solvent, T): Estimate solution viscosity at given temperature. Solvent can be :h2o or :d2o.