A worldwide e-Infrastructure for NMR and structural biology

WeNMR at e-BioGrid Workshop 2011

 

e-BioGrid organized a workshop the 10 November in Amsterdam Science Park.

The workshop focused on the computational needs of various e-science project. It aimed to address some questions such as: what kind of infrastructures are needed? which of  cloud or grid computing is more apropriate for a specific project? what are the best practice for job submission...

During the morning session, several research community showcase their e-science project and their needs. Mass spectroscopy, next generation sequencing, medical imaging, biobanking, microarray technology were represented, as well as the NMR spectroscopy / SAXS with the WeNMR project.

The WeNMR talk (slides attached) presented the objectives of the project, the partner institutes and the local institute (BCBR) with its local resources, the caracteristic of our WeNMR users and the way they use the various webportals, the mechanism behind the scene for the grid job submission and interaction, and some statistics over the last twelve months. To run smoothly on the grid, the WeNMR project requires access to a large number of cpus. Over the past year, most of our calculations (70%) ran on the HTC-BIGGRID infrastructure.

The afternoon session was dedicated to discuss further the requirements of all e-science project, and to review some middleware and framework solutions.

 

AttachmentSize
eBiogrid_v2.ppt12.79 MB

Cite WeNMR

 
Usage of the WeNMR portals should be acknowledged in any publication:
 
"The WeNMR project (European FP7 e-Infrastructure grant, contract no. 261572www.wenmr.eu), supported by the European Grid Initiative (EGI) through the national GRID Initiatives of Belgium, France, Italy, Germany, the Netherlands, Poland, Portugal, Spain, UK, South Africa, Malaysia, Taiwan, the Latin America GRID infrastructure via the Gisela project, the International Desktop Grid Federation (IDGF) with its volunteers and the US Open Science Grid (OSG) are acknowledged for the use of web portals, computing and storage facilities. "
 
And the following article describing the WeNMR portals should be cited:
Wassenaar et al. (2012). WeNMR: Structural Biology on the Grid.J. Grid. Comp., 10:743-767.

EGI-approved

The WeNMR Virtual Research Community has been the first to be officially recognized by the EGI.

European Union

WeNMR is an e-Infrastructure project funded under the 7th framework of the EU. Contract no. 261572