VISUALIZATION AND VISUAL WORKFLOW ENVIRONMENT TO ENHANCE MULTI-SCALE MODELING

这个子项目是许多研究子项目中的一个 由NIH/NCRR资助的中心赠款提供的资源。子项目和 研究者（PI）可能从另一个NIH来源获得了主要资金， 因此可以在其他CRISP条目中表示。所列机构为 研究中心，而研究中心不一定是研究者所在的机构。 本研究的目标是开发一个基于组件的可视化环境，这是有用的，以各种规模和各种数据类型的分子结构功能关系方面的生物科学家的广泛工作。该环境支持从基因序列和原子细节结构到电子显微镜和光学显微镜重建的数据的结构信息。随着基因组计划扩展到 在功能基因组学领域，越来越需要整合来自整个生物物理范围的数据和计算的可视化工具。从序列数据、单个分子结构和生物样品成像开发复杂模型的可能性将取决于支持多模式和多尺度能力的计算和可视化环境。通过利用基于组件的交互基础设施，我们将能够有效地设计和构建可视化工具，这些工具是针对计算生物学社区不断增长的需求而量身定制的，并且将集成到基于网络的计算和协作环境中。 该项目的总体目标是为生物医学界提供强大而灵活的图形用户界面（GUI）和可视化工具，以促进生物医学研究中多尺度、多物理模型和应用的快速开发、重新配置和新利用。为了实现这一目标，我们将加强、扩展和部署基于组件的交互式环境，用于生物医学编程、计算、分析和可视化。将特别强调将新工具与此环境连接的自动化，支持大型和复杂的工作流程，集成Web服务以及计算工作流程的批处理执行。 Guillaume Vareille的离职在一定程度上阻碍了目标1、2和3的整体进展，Guillaume Vareille在过去4年中一直是我们工作流程环境Vision和3D可视化组件DejaVu的首席开发人员。桑纳博士将在不久的将来承担这一责任。尽管出现了这一挫折，但还是取得了实质性进展。

This subproject is one of many research subprojects utilizing the resources provided by a Center grant funded by NIH/NCRR. The subproject and investigator (PI) may have received primary funding from another NIH source, and thus could be represented in other CRISP entries. The institution listed is for the Center, which is not necessarily the institution for the investigator. The goal of this research is to develop a component-based visualization environment that is useful to a broad range of biological scientists working on aspects of molecular structure function relationships at various scales and with a variety of data types. The environment supports structural information that ranges from gene sequence and structure at atomic detail, to data reconstructed from electron microscopy, and light microscopy. As the Genome Initiative expands into the area of functional genomics, there is an increasing need for visualization tools that integrate data and computation from across the biophysical range. The possibility of developing complex models from sequence data, individual molecular structures, and imaging of biological samples will depend upon computational and visualization environments that support multi-modal and multi-scale capabilities. By capitalizing on the component-based interaction infrastructure, we will be able to efficiently and effectively design and build visualization tools that are tailored to the growing needs of the computational biology community, and that will integrate into network based computational and collaborative environments. The overall objective of this project is to provide the biomedical community with powerful and flexible Graphical User Interfaces (GUIs) and visual tools that will facilitate the rapid development, reconfiguration and novel utilization of multi-scale, multi-physics models and applications for biomedical research. In order to meet this goal, we will harden, extend, and deploy component-based, interactive environments for biomedical programming, computation, analysis, and visualization. A special emphasis will be put on the automation of interfacing new tools to this environment, supporting large and complex workflows, integrating web services, and batch executions of computational workflows. The overall progress of Aims 1, 2 and 3 have somewhat been hampered by the departure of Guillaume Vareille who has been the lead developer of our workflow environment: Vision and our 3D visualization component: DejaVu, for the past 4 years. Dr. Sanner will assume this responsibility in the immediate future. Despite this setback, substantial progress has been achieved.