d'Auvergne protocol GUI mode - setting up the spin systems

The model-free dynamics is at the level of the spins - relaxation affects individual nuclei. In the main model-free tab you will see the “Spin systems” GUI element. Clicking on the “Spin editor” button to the right of this element will launch the spin editor window.

In this tutorial, the 3 model of the PDB file 1f3y.pdb will be used to extract the spin system information. The molecule will be named “Ap4Aase”. For details on how to create the spin containers necessary for this analysis, please see section 4.5.2 on page [*] (or analyses lacking structural data in section 4.5.3 on page [*] for sequence files).

Note that for this tutorial, the protein backbone spins “@N” and “@H” as well as the tryptophan sidechain indole “@NE1” and “@HE1” spins should be loaded in the spin viewer window.

The relax user manual (PDF), created 2019-03-08.