SOFTWARE FOR INTERACTIVE MOLECULAR MODELING

这项研究工作的目标是开始开发基本的 用于创新的、新的体积显示的软件。此显示，这是 是基于两束相交的激光来寻址的原理 透明光学材料立方体中的体积像素提供 增强了可视化属性，而不是当前可用的 平板显示器。这项技术的硬件刚刚出现 因此，只有与不兼容的低级软件 现有的平台，存在。这项工作将集中在分子建模上。 作为一种应用程序，但有可能解决许多领域的 使用体积数据集的科学和医学，例如那些 通过核磁共振、CT扫描和超声获得。该项目将对 基本显示性能参数，并创建一组最优 创建简单线条画的算法。它还将开发一种 定义良好的应用程序程序员界面，并确定 使用显示器进行交互式分子建模的适宜性 申请。 建议的商业应用 这项技术的潜在商业应用包括 用于药物设计的分子数据可视化， MRI、CT扫描和超声数据的可视化 诊断和治疗计划，以及一般情况的可视化 体积科学和医学数据。

The objective of this research effort is to begin to develop basic software for an innovative, new, volumetric display. This display, which is based on the principle of two intersecting laser beams to address volumetric pixels in a cube of transparent optical material, provides enhanced visualization attributes over what is currently available using flat screen displays. The hardware for this technology has just emerged and as such, only low level software, which is not compatible with existing platforms, exists. This effort will focus on molecular modeling as an application, but has the potential to address many areas of science and medicine that use volumetric data sets, such as those obtained from MRI, CT-Scan, and Ultra-Sound. The project will evaluate basic display performance parameters and create a set of optimal algorithms for creating simple line drawings. It will also develop a well-defined application programmer interface, and determine the appropriateness of using the display for interactive molecular modeling applications. PROPOSED COMMERCIAL APPLICATION Potential commercial applications for this technology include visualization of molecular data for pharmaceutical drug design, visualization of MRI, CT-Scan, and Ultra Sound data for diagnostics and treatment planning, and visualization of general volumetric scientific and medical data.