Christophe Schmitz home page on

Paramagnetic NMR



The WeNMR project aims at providing to the NMR and SAXS communities with access to standardized tools and protocols via some web interfaces. Concretly, WeNMR provides web portals (such as HADDOCK, GROMACS, CS-ROSETTA and many more) so that registered users can run heavy calculation on the grid (The grid = a group of interconnected clusters localized worldwide). More than that, WeNMR is a Virtual Research Community providing wikis, documentations, help, forums etc... PCS-HADDOCK will be soon integrated into it, probably PCS-ROSETTA too.

To join WeNMR, you will need:

1. To get a personal grid certificate, and load it in your web browser. You will in fact need to contact your local certificate authority

2. To register to the Virtual Organization (Using the web browser loaded with your certificate)

3. To register to the WeNMR service(s) (Web Portal) you want to use

Once you done all that, you will have access to the web portal(s) you registered for. If you are adventurous, you could even install a so called 'User Interface' machine, that will allow you to run your own jobs, with your own code, on the Grid. Today, WeNMR has access to more than 30000 CPUs... Oh, and all that is free as long as you are an academic user, and it is open worldwide.

More info about the project:

Detailed registration instruction:

Project coordinator: Prof. Alexandre Bonvin