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. |