A worldwide e-Infrastructure for NMR and structural biology

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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.


Cite WeNMR/WestLife

Usage of the WeNMR/WestLife portals should be acknowledged in any publication:
"The FP7 WeNMR (project# 261572), H2020 West-Life (project# 675858) and the EOSC-hub (project# 777536) European e-Infrastructure projects are acknowledged for the use of their web portals, which make use of the EGI infrastructure with the dedicated support of CESNET-MetaCloud, INFN-PADOVA, NCG-INGRID-PT, TW-NCHC, SURFsara and NIKHEF, and the additional support of the national GRID Initiatives of Belgium, France, Italy, Germany, the Netherlands, Poland, Portugal, Spain, UK, Taiwan and the US Open Science Grid."
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.


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

WestLife, the follow up project of WeNMR is a Virtual Research Environment e-Infrastructure project funded under Horizon 2020. Contract no. 675858