ARIAweb: a server for automated NMR structure calculation

Abstract : Nuclear magnetic resonance (NMR) spectroscopy is a method of choice to study the dynamics and de- termine the atomic structure of macromolecules in solution. The standalone program ARIA (Ambigu- ous Restraints for Iterative Assignment) for auto- mated assignment of nuclear Overhauser enhance- ment (NOE) data and structure calculation is well es- tablished in the NMR community. To ultimately pro- vide a perfectly transparent and easy to use service, we designed an online user interface to ARIA with additional functionalities. Data conversion, structure calculation setup and execution, followed by inter- active visualization of the generated 3D structures are all integrated in ARIAweb and freely accessible at https://ariaweb.pasteur.fr.