A Graphics Workstation in the Undergraduate Chemistry Curriculum

通过这个项目获得的计算机是一个硅图形 4D/25 G图形工作站，配备12 MB内存和两个380 MB 硬盘。 的图形和计算能力， 计算机被用来支持两门生物化学课程， 一门计算化学的课程， 程序. 工作站填补了一个空白， 化学本科生讲授现代化学 research. 关于分子生物学的信息的快速增长 生物化学中的结构引起了对更多 一种有效的方法来表示大分子在三个 比在该机构提供的尺寸。 图形 工作站提供了这样一种方法。 使用现有软件 包，学生介绍了错综复杂的 生物化学一年中的大分子结构 当然了 由于缺乏指导， 本科生在计算化学中获得。 的 购置工作站后， 一门教授分子生物学理论和实践的课程 计算。 为了有效地教授这样一门课程，化学 部门需要一台功能比现有的更强大的计算机。 Silicon Graphics工作站不仅提供了必要的 处理能力，同时也是图形处理能力的优势 协助介绍和解释 示例计算。 高级论文程序还广泛使用了图形 工作站 受影响的学生项目包括网站- 定向诱变研究、酶抑制剂设计和 结构与结构之间关系的数学模型 致突变性 该机构的捐款数额略高于 NSF基金。

The computer acquired through this project was a Silicon Graphics 4D/25G graphics workstation with 12 MB of memory and two 380 MB hard disk drives. The graphics and calculational capabilities of the computer are being used to support two biochemistry courses, a course in computational chemistry, and the senior thesis program. The workstation filled a gap that existed between what the chemistry undergraduates were taught and modern chemical research. The rapid growth of information regarding molecular structure in biochemistry has given rise to the need for a more effective method of representing large molecules in three dimensions than was available at the institution. The graphics workstation provided such a method. Using available software packages, students are introduced to the intricacies of macromolecular structure throughout the one year biochemistry course. An additional need arose from the lack of instruction that undergraduates received in computational chemistry. The acquisition of the workstation permitted the development of a course designed to teach the theory and practice of molecular calculations. To teach such a course effectively, the Chemistry Department required a more powerful computer than was available. The Silicon Graphics workstation provided not only the necessary processing power, but also the advantage of graphics capabilities to assist in the presentation and interpretation of results from sample calculations. The senior thesis program also made extensive use of the graphics workstation. Student projects that were affected included site- directed mutagenesis studies, enzyme inhibitor design and mathematical modelling of the relationship between structure and mutagenicity. The institution contributed in an amount slightly in excessof the NSF funds.