Visapult is a prototype application and framework for remote visualization of large scientific datasets. We approach the technical challenges of tera-scale visualization with a unique architecture that employs high speed WANs and network data caches for data staging and transmission. This architecture allows for the use of available cache and compute resources at arbitrary locations on the network. High data throughput rates and network utilization are achieved by parallelizing I/O at each stage in the application, and by pipelining the visualization process. On the desktop, the graphics interactivity is effectively decoupled from the latency inherent in network applications. We present a detailed performance analysis of the application, and improvements resulting from field-test analysis conducted as part of the DOE Combustion Corridor project.

Large scale scientific data is often stored in scientific data formats such as FITS, netCDF and HDF. These storage formats are of particular interest to the scientific user community since they provide multi-dimensional storage and retrieval. However, one of the drawbacks of these storage formats is that they do not support semantic indexing which is important for interactive data analysis where scientists look for features of interests such as "Find all supernova explosions where energy > 10 5 and temperature > 10 6 ".In this paper we present a novel approach called HDF5-FastQuery to accelerate the data access of large HDF5 files by introducing multi-dimensional semantic indexing. Our implementation leverages an efficient indexing technology called bitmap indexing that has been widely used in the database community. Bitmap indices are especially well suited for interactive exploration of large-scale readonly data. Storing the bitmap indices into the HDF5 file has the following advantages: a) Significant performance speedup of accessing subsets of multi-dimensional data and b) portability of the indices across multiple computer platforms. We will present an API that simplifies the execution of queries on HDF5 files for general scientific applications and data analysis. The design is flexible enough to accommodate the use of arbitrary indexing technology for semantic range queries. We will also provide a detailed performance analysis of HDF5-FastQuery for both synthetic and scientific data. The results demonstrate that our proposed approach for multi-dimensional queries is up to a factor of 2 faster than HDF5.

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We describe ProteinShop, a new visualization tool that streamlines and simplifies the process of determining optimal protein folds. ProteinShop may be used at different stages of a protein structure prediction process.First, it can create protein configurations containing secondary structures specified by the user. Second, it can interactively manipulate protein fragments to achieve desired folds by adjusting the dihedral angles of selected coil regions using an Inverse Kinematics method. Last, it serves as a visual framework to monitor and steer a protein structure prediction process that may be running on a remote machine. ProteinShop was used to create initial configurations for a protein structure prediction method developed by a team that competed in CASP5. ProteinShop's use accelerated the process of generating initial configurations, reducing the time required from days to hours. This paper describes the structure of ProteinShop and discusses its main features.

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