d'Auvergne protocol GUI mode - completion

Upon completion of the analysis, the save and results files for the final result will be located in the final directory within the selected results directory. The results files will consist of text files for each of the spin specific model-free parameters, 2D Grace plots of the model-free parameters, PyMOL and MOLMOL macros for superimposing the model-free parameter values onto the 3D structure of the molecule, and a PDB representation of the final diffusion tensor.

Further visualisations of the results are possible via the “User functions” menu entry. For example to generate a 2D plot of order parameters for one of the other diffusion tensor results, the pipe editor window can be used to switch data pipes to the other diffusion models and then the “User functionsgracewrite” menu item can be selected to create the plot.

The relax user manual (PDF), created 2024-06-08.