Northwest Trajectory Analysis Capability: A Platform for Enhancing Computational Biophysics Analysis
As computational resources continue to increase, the ability of computational simulations to effectively complement, and in some cases replace, experimentation in scientific exploration also increases. Today, large-scale simulations are recognized as an effective tool for scientific exploration in many disciplines including chemistry and biology. A natural side effect of this trend has been the need for an increasingly complex analytical environment. In this paper, we describe Northwest Trajectory Analysis Capability (NTRAC), an analytical software suite developed to enhance the efficiency of computational biophysics analyses. Our strategy is to layer higher-level services and introduce improved tools within the user’s familiar environment without preventing researchers from using traditional tools and methods. Our desire is to share these experiences to serve as an example for effectively analyzing data intensive large scale simulation data.
- Research Organization:
- Pacific Northwest National Lab. (PNNL), Richland, WA (United States)
- Sponsoring Organization:
- USDOE
- DOE Contract Number:
- AC05-76RL01830
- OSTI ID:
- 971901
- Report Number(s):
- PNNL-SA-70758; KJ0101030; TRN: US201004%%224
- Resource Relation:
- Conference: Proceedings of the 2008 International Conference on Bioinformatics and Computational Biology, BIOCOMP 2008, 558-562
- Country of Publication:
- United States
- Language:
- English
Similar Records
Research at the Intersection of the Physical and Life Sciences, Washington, D.C.: National Academies Press, 2010.
Breaking the High-Throughput Bottleneck: New tools help biologists integrate complex datasets