We present a fully networked system for visually monitoring and editing scientific data across a wide variety of platforms and graphics environments. The software that we introduce provides a cross-platform, collaborative environment to view and modify data. Our solution allows for an immersive display of structures in a CAVE virtual reality environment, as well as full support for traditional desktop graphics environments. Via an auto-refresh capable file-based database, the software system also provides a real-time monitor for applications so that a geographically distributed set of personnel can monitor the progress of an application(s). The system was designed with an object-oriented approach in order to allow for an easy extension of the API. We demonstrate proof-of-concept by using a critical, complex, and computationally intensive application from structural biology (Shake-and-Bake) that was recently listed on the IEEE poster of “Top Algorithms of the 20 th Century”.
Features:
- View protein and other molecular data 3D.
- Edit erroneous parts (clusters of atoms) of molecular structures.
- Add and remove atoms and bonds.
- Structure and similarity analysis.
- Calculate properties (i.e. angles, torsions).
- Collaborative across large networks.
- Synchronized viewing among clients.
- Network security (alpha stage).
- Object-oriented and hence extensible user interface components, built with OpenGL to allow multi-platform compatibility.
- Compatible with Windows, Linux, Irix, Mac OS X.
- Built-in architecture to support CAVE Virtual Reality System as well as regular desktops.
- Compatible with other file formats such as PDB.
Keywords: Visualization; virtual reality; CAVE; collaboratory; structural biology; X-ray crystallography; Shake-and-Bake ;
Papers:
Ghadersohi, A., Pape, D. E., Weeks, C. M., Green, M. L., Miller, R. Collaborative Scientific Visualization and Real-time Monitoring of Protein Structure Data. (Submitted to SIGGRAPH) (PDF)
Sketches:
Ghadersohi, A., Pape, D. E., Weeks, C. M., Green, M. L., Miller, R. Collaborative Visualization and Real-time Monitoring of Scientific Data. (Sketch Submitted to SIGGRAPH) (PDF)
Presentations:
Ghadersohi, A., Pape, D. E., Weeks, C. M., Green, M. L., Miller, R. Collaborative Scientific Visualization and Real-time Monitoring of Protein Structure Data. CSEGSA Graduate Conference, 3/28/05, SUNY-Buffalo (PDF)
Posters:
Shake-and-Bake Visualizer. A. Ghadersohi1, D. Pape2, C. M. Weeks3, M. L. Green1 & R. Miller1,3, 1Center for Comp. Res. & Dept. of Comp. Sci., SUNY-Buffalo, 2Dept. of Media Study SUNY-Buffalo, 3Hauptman-Woodward Institute, Buffalo NY. (ACA 2005) |
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