CHIMERA WEB SERVICES EXTENSIONS

这个子项目是利用资源的许多研究子项目之一。 由NIH/NCRR资助的中心拨款提供。对子项目的主要支持 子项目的首席调查员可能是由其他来源提供的， 包括美国国立卫生研究院的其他来源。为子项目列出的总成本可能 表示该子项目使用的中心基础设施的估计数量， 不是由NCRR赠款提供给次级项目或次级项目工作人员的直接资金。 Web服务为客户端从远程计算机获取服务提供了一种方便的、独立于平台的方式。例如，虽然Chimera没有分布在大型数据库中，但用户可以通过Web获取数据 来自蛋白质数据库(PDB)、电子显微镜数据库(EMDB)和其他几个来源。一些有用的功能在Chimera中尚未提供，因为它们需要较长的计算或不适合桌面计算的数据资源，而通过Web服务访问也存在问题，因为较长的响应时间与Chimera的交互用户界面不太匹配。为了解决这一限制，我们建议部署面向服务的体系结构(SOA)软件，该软件支持RBVI Web服务器上的长期运行作业，并使Chimera能够与这些作业进行通信。 我们将在RBVI Web服务器上部署来自国家生物医学计算资源(NCRR BTRC)的Opal工具包(nbcr.net/soft/opal)，以提供架构的服务器端。我们会 然后在Chimera中实现一个简单的接口来直接访问每个服务；也就是说，Chimera将“知道”哪些RBVI Web服务可用，以及每个服务期望哪些参数。在第二阶段，我们将实现一个更强大的界面，该界面向Web服务器查询所有可用服务的描述，从Web服务元数据自动生成图形用户界面，并将服务输出转换为可通过标准Chimera界面访问的数据。

This subproject is one of many research subprojects utilizing the resources provided by a Center grant funded by NIH/NCRR. Primary support for the subproject and the subproject's principal investigator may have been provided by other sources, including other NIH sources. The Total Cost listed for the subproject likely represents the estimated amount of Center infrastructure utilized by the subproject, not direct funding provided by the NCRR grant to the subproject or subproject staff. Web services provide a convenient, platform-independent way for clients to obtain services from a remotecomputer. For example, while Chimera is not distributed with large databases, users can fetch data via the web from the Protein Data Bank (PDB), the Electron Microscopy Data Bank (EMDB), and several other sources. Some useful capabilities are not yet available in Chimera because they require long computations or data resources not suitable for desktop computing, and access via web services is also problematic because long response times do not fit well with Chimera's interactive user interface. To address this limitation, we propose to deploy service oriented architecture (SOA) software that supports long-running jobs on the RBVI web servers and enables Chimera to communicate with these jobs. We will deploy the Opal Toolkit (nbcr.net/software/opal) from the National Biomedical Computation Resource (an NCRR BTRC) on the RBVI web servers to provide the server side of the architecture. We will then implement a simple interface in Chimera to access each service directly; that is, Chimera will "know" which RBVI web services are available and what parameters each service expects. In the second phase, we will implement a more powerful interface that queries the web server for descriptions of all available services, automatically generates a graphical user interface from web service metadata, and converts service output to data that can be accessed via the standard Chimera interface.