A worldwide e-Infrastructure for NMR and structural biology

Getting started with UNIO

In addition to the portals already available, a UNIO portal has now been tested on local infrastructure and is expected to be finalized and available mid 2011.

UNIO comprises elements for all major tasks involved in protein structure determination by NMR. The UNIO portal will allow the user to obtain backbone resonance assignment based on projection NMR spectroscopy of high-dimensional spectra. Such spectra have recently received much interest in the NMR community and presumably represent a substantial and more reliable addition to data analysis programs commonly used for backbone NMR resonance assignment . The UNIO portal will be designed as a multiple component web portal, similar to the HADDOCK portal. It will offer expert systems for the subsequent computationally demanding tasks of NMR signal identification, side-chain resonance assignment and comprehensive collection of distance restraints, with the latter task focusing on the primary source of NMR-based protein modeling. UNIO is compatible with powerful NMR structure calculation programs, such as CYANA and CNS, which are already operational on the WeNMR grid infrastructure, and will equip the structural biology community with all computational processing tools necessary for a complete protein structure determination by NMR.


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Cite WeNMR/WestLife

Usage of the WeNMR/WestLife portals should be acknowledged in any publication:
"The FP7 WeNMR (project# 261572) and H2020 West-Life (project# 675858) European e-Infrastructure projects are acknowledged for the use of their web portals, which make use of the EGI infrastructure and DIRAC4EGI service with the dedicated support of CESNET-MetaCloud, INFN-PADOVA, NCG-INGRID-PT, RAL-LCG2, 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, South Africa, Malaysia, 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