LIBRARY-BASED ELECTRONIC STRUCTURE CALCULATION SYSTEM

越来越明显的是，电子商务的现代化 结构计算已成为研究的重要组成部分， 教育环境。这些技术曾经只掌握在 软件开发人员和专家用户正在迅速进入课堂 和实验室环境，他们不仅可以为教学做出贡献， 也涉及实验设计和数据解释。的经验 在City of Hope实施这种方法已经说服了我们， 我们的同事，一个基础广泛的系统，通过分布式访问， 图书馆和其他地点将提供重要的信息资源， 对希望之城的价值 我们建议演示一个电子结构的可复制系统 希望之城的计算将提供信息资源， 在希望之城的指导下进行教学和研究？s IAIMS（CRIIS：临床 综合信息系统（Integrated Information Systems）。中 该项目的目标是：（1）展示可复制的 电子结构计算软件（Spartan 5.0，Gaussian 98，和 5）、NMR结构分析软件（FELIX 97和Insight II）和 分子模拟软件（Cerius2）。2)展示一个可复制的系统， 通过City of Hope研究图书馆开放访问该软件， 希望之城校园里其他遥远的地方。3)演示一个可复制的 软件使用培训和咨询系统。

It is increasingly clear that the modern implementations of electronic structure calculation are becoming essential components of the research and educational environment. These technologies which were once only in the hands of software developers and expert users are rapidly moving into the classroom and laboratory environment where they can contribute not only to teaching but also to experimental design and the interpretation of data. Our experience in implementing this approach at the City of Hope has convinced us, and many of our colleagues, that a broad-based system with distributed access through the library and other locations will provide a significant information resource of general value to the City of Hope. We propose to demonstrate a replicable system for electronic structure calculation at the City of Hope that will contribute an information resource in teaching and research guided by the City of Hope?s IAIMS (CRIIS: Clinical and Research Integrated Information Systems) implementation process. Among the aims of the project are to: 1) Demonstrate a replicable implementation of electronic structure calculation software (Spartan 5.0, Gaussian 98, and Jaguar 3.5), NMR structure analysis software (FELIX97, and Insight II) and molecular modeling software (Cerius2). 2) Demonstrate a replicable system for open access to this software through the City of Hope research library and other distant sites on the City of Hope Campus. 3) Demonstrate a replicable system for training and consultation on the use of the software.