Future Developments
Work underway to permit the GUI to query and download structures stored in online XML databases as part of the eCCP1 project.
As the data model progresses it will also become possible to store and retrieve the inputs and results of QM and MM calculations as XML.
http://www.e-science.clrc.ac.uk/web
Develop interfaces to new QM and MM codes.
Continue to expand the visualisation capabilities.
Add new functionality – suggestions?…