Moses

The authors present an architecture for simulation modeling using the resources of grid computing. The use of the grid provides access to the substantial data storage and processing power, which are necessary to translate such models from computational tools into genuine planning aids. As well as providing access to virtualized compute resources, the architecture allows customized applications to meet the needs of an array of potential user organizations. A number of key obstacles in the deployment and integration of e-Science services are identified. These include the high computational costs of simulation modeling at the microscale for typical "what if" scenario questions in research and policy settings; the management and technical issues relating to security in licensing common data sources; sociocultural, legal, and administrative restrictions on the privacy of individual-level response data; and the slow development and lack of uptake of agreed standards such as JSR-168 compliant portlets in the construction of useable applications. © 2009 SAGE Publications

Collaborative annotation of 3D crystallographic models

This paper describes the AnnoCryst system-a tool that was designed to enable authenticated collaborators to share online discussions about 3D crystallographic structures through the asynchronous attachment, storage, and retrieval of annotations. Annotations are personal comments, interpretations, questions, assessments, or references that can be attached to files, data, digital objects, or Web pages. The AnnoCryst system enables annotations to be attached to 3D crystallographic models retrieved from either private local repositories (e.g., Fedora) or public online databases (e.g., Protein Data Bank or Inorganic Crystal Structure Database) via a Web browser. The system uses the Jmol plugin for viewing and manipulating the 3D crystal structures but extends Jmol by providing an additional interface through which annotations can be created, attached, stored, searched, browsed, and retrieved. The annotations are stored on a standardized Web annotation server (Annotea), which has been extended to support 3D macromolecular structures. Finally, the system is embedded within a security framework that is capable of authenticating users and restricting access only to trusted colleagues