It's my pleasure to announce (on behalf of Karan Bhatia
<karan@...> and researchers at SDSC and NBCR) the availability of
a new, web-based interface to APBS and related modeling tools. The
full release and availability information is included below.
On Nov 2d, 2005, the San Diego Supercomputer Center's Advanced
Cyberinfrastructure Laboratory released the first public version of
GEMSTONE (Grid Enabled Molecular Science Through Online Networked
Environments), a cross-platform desktop application that provides users
access to remote grid services specific to chemical and biochemical
* Gemstone is built from the Mozilla foundation codebase and available
as a Firefox extension, with automatic update of new releases.
* It is capable of providing a versatile desktop user interface to
strongly typed web services for applications running in distributed
cluster computing environment.
* The user interface allows a user to save and reuse application
* Drag and drop capability on multiple platforms.
* Supports Server-side dynamic user interface configuration update.
This initial version includes support for Adaptive Poisson-Boltzmann
Solver (APBS), Babel, and access to the Protein Data Bank (PDB). The
APBS Web Service is developed by the National Biomedical Compute
Resource (http://nbcr.net) and hosted on a cluster using the Rocks
cluster environment (http://www.rocksclusters.org). Security for the
APBS Web Service is possible using Grid Account Management Architecture
(GAMA) using Grid Security Infrastructure (GSI) authentication.
More information on downloading and using GEMSTONE can be found at
http://grid-devel.sdsc.edu/gemstone. Additional information on GAMA
(http://grid-devel.sdsc.edu/gama) and APBS Web Service
(http://nbcr.net/services) are available online. Please contact Karan
Bhatia at karan@... for additional questions or comments.
GEMSTONE is funded by the National Science Foundation through the
NSF Middleware Initiative (http://www.nsf-middleware.org). It's
developed in close
collaboration with NBCR, funded by the National Center for Research Resourc=
National Institutes of Health (http://www.ncrr.nih.gov).
Assistant Professor, Dept. of Biochemistry and Molecular Biophysics
Center for Computational Biology, Washington University in St. Louis