A worldwide e-Infrastructure for NMR and structural biology

Getting started with CYANA

Another widely used program for calculating structures from conformational restraints is CYANA (Combined Assignment and dYnamics Algorithm for NMR Applications). Its main characteristics are the ability for iterative assignment of NOE peaks, and structure calculations through simulated annealing in torsion angle space. Like with XPLOR-NIH, the structure calculations involve many simulated annealing runs, divided over several iterative cycles.

The design of the web portal for CYANA is similar to that of HADDOCK. Foldable menus are used to hide optional sets of parameters, by default presenting an intuitive menu offering a standard structure calculation protocol. The portal allows three modes of invocation of the service. Users can request structure calculation using a set of upper distance bound restraints, providing a list of assigned peaks, or providing a list of unassigned peaks, in which case the automated peak assignment will be performed. 

Use of the service requires having a license for CYANA and registering for use of the portal, presenting a valid Grid certificate. This will give a username and password that can be used to sign service requests.

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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.

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

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

West-Life