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Paul Edgington
Senior Scientific Software Engineer
Cambridge Structural Database (CSD)
Cambridge, UK
paul.edgington@ccdc.cam.ac.uk

Relibase, Relibase+ and other developments from the CCDC


Relibase is web-based tool for searching and analysing protein ligand structures in the PDB. The CCDC is collaborating with the original author Manfred Hendlich and the University of Marburg, Germany in the distribution and onward development of Relibase. Two new products have been released: an enhanced version of Relibase on the WWW and Relibase+. Relibase+ offers all the features of the WWW version of the program, with the added ability to generate proprietary databases of protein-ligand complexes, and subject them to the same searches, alongside the PDB, confidentially on the users' own hardware.

As well as providing an overview of what Relibase currently does and how it does it, information on developments for the next version and possible future directions will be given.

In addition the following CCDC projects will be covered: Mogul: A 'distilled-knowledge' library of data taken from the CSD. It will provide the user with the ability to quickly search for intramolecular > > torsion angles, bond angles or bond lengths in the CSD, and visualize the results in a number of useful ways.

SuperStar: A program for predicting where functional groups bind non-covalently to proteins. GOLD: A program for predicting how flexible molecules will bind to proteins. 

   
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