Copyright 2014-2020 by Evgueni Kovriguine
The tutorials give example workflows for different tasks. I give some explanations and comment on use of the commands. However, for more details on specific features, the user is advised to see the manuals (above) and actual code of releveant classes and functions. The HTML tutorials enable a user to view the code and results without invoking MATLAB. To reproduce the tutorial results the user should copy a tutorial M-code to a new location and run it in MATLAB with the MATLAB Path set to point at the code/ folder of the IDAP package.
These tutorials are meant to be read one after another, which means that later tutorials do not explain or reiterate on anything discussed previously.
This is a library of line shape models designed for using with TITAN [1]. For more information on the algorithms and design of the IDAP-TITAN interface see 2D NMR line shapes: IDAP models in TITAN. See an example of application is described in [2].
To run this simulation, set paths to the following folders:
The output is a folder with figures in PNG and FIG format. Open Report.hmtl to view results.
The following tutorials are available:
[1] Waudby, C. A., A. Ramos, L. D. Cabrita and J. Christodoulou (2016). "Two-dimensional NMR lineshape analysis." Scientific Reports 6: 8. http://www.nmr-titan.com]
[2] Kovrigin, E.L. (2020) NMR Line Shapes in Molecular Mechanisms with Ligand Binding and Multiple Conformers", under review; see BioRxiv for a preprint at
https://doi.org/10.1101/2020.01.03.894485.
Multiexponential decay analysis such as found in ultrafast absorption spectroscopy. I do not give much of the tutorials (at this time) but simply deposit here the examples of tasks I performed.