A worldwide e-Infrastructure for NMR and structural biology

Assignment Software

Auto Assign

AutoAssign is a constraint-based expert system for automating the analysis of backbone resonance assignments using triple resonance NMR spectra of small proteins. Go to the service >>

MARS

MARS is a program for robust automatic backbone assignment of 13C/15N labeled proteins. MARS simultaneously optimizes the local and global quality of assignment to minimize propagation of initial assignment errors and to extract reliable assignments. It can be applied independent of the assignment complexity, it does not require tight thresholds for establishing sequential connectivity or detailed adjustment of these thresholds, it can work with a wide variety of NMR experiments and it is robust against missing chemical shift information. Go to the service >>

UNIO

The UNIO program enables you to perform automated NMR data analysis for 3D protein structure determination. It includes data analysis algorithms for all parts of an NMR structure determination process ranging from backbone and side-chain assignment to automated NOE assignment and structure calculation. Go to the service >>

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