NMR structure calculation with ARIAweb

Link to this tutorial online: http://aria.pasteur.fr/tutorial

In this practical, we will calculate the structure of a HRDC domain (Liu et al., 1999, Structure 15;7(12):1557-66) with ARIA2. The data comprise two NOESY spectra, torsion angles from ³J coupling constants and hydrogen bond restraints.

Links:

IMPORTANT For this tutorial, you will use the ARIAweb server, for which you can either Register or use anonymously. Please go first to the login page and choose how to use the server. https://ariaweb.pasteur.fr/login

Once you have access to ARIAweb, here is how your homepage looks like.

Choose your practical

You can either do the practical starting from Xeasy fromatted peak-list and restraints files, a CCPN project that contains all the data or a NEF file that contains all the data for structure calculation. Click below to go to the appropriate section of the practical:

Using Xeasy and restraints files

Using a CCPN project

Using a NEF data file

Using an initial 3D model