A worldwide e-Infrastructure for NMR and structural biology

Getting started with TALOS+

TALOS+, like its predecessor TALOS, is a program to predict torsion angles for amino acids given information regarding chemical shift and the probable regions in the Ramachandran plot for each type of amino acid. TALOS+ distinguishes itself by the inclusion of a neural network component, the output of which is added as an empirical term in the conventional TALOS data base search. To prevent assignment of torsion angles to the backbone of flexible regions, TALOS+ first identifies such regions using the flexibility prediction program RCI developed by Berjanskii and Wishart.

The TALOS+ portal offers a simple interface where an input file in either TALOS or BMRB format can be uploaded. In addition a number of PDB ID codes can be given, indicating structures that should be excluded from the calculations. Unlike most of the other portals, the TALOS+ portal can be used without a Grid certificate, as the calculations are run on a local server.

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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