VMD

这个子项目是利用由NIH/NCRR资助的中心拨款提供的资源的许多研究子项目之一。子项目和调查员(PI)可能从另一个NIH来源获得了主要资金，因此可能会出现在其他CRISE条目中。列出的机构是针对中心的，而不一定是针对调查员的机构。VMD[49]是一个分子可视化程序，提供交互式生物分子显示和分析能力。VMD结合了脚本和插件接口，以实现复杂任务的用户可扩展性和自动化。(http://www.ks.uiuc.edu/Research/vmd/)vmd可在所有主流操作系统上运行，支持从笔记本电脑到超级计算机的各种计算机。VMD采用先进的硬件技术，包括立体显示、具有触觉反馈的六自由度输入设备、多处理器和集群渲染系统、OpenGL、可编程明暗处理和位处理器。在过去的一年里，VMD已经扩展了新的结构构建工具，帮助生物医学研究人员建立全原子分子模型和准备模拟。VMD现在处理具有多种构象、特殊键、生物单位转换的结构，并可以自动重新生成某些类型的丢失信息。一种新的体积图生成工具从分子动力学轨迹合成体积密度和占有率图，用于分析和可视化。新的图形表示允许研究人员用更少的细节和高效的渲染算法来可视化非常大的分子模型。几个新插件提供了额外的分子和体积文件格式支持。自上次进度报告以来，已有10 300多名新用户注册和下载了VMD 1.8.3。截至2006年4月，已有超过17,200名独立用户注册和下载了该版本。自上一次进度报告以来，VMD 1.8.3发布了三个插件更新。自上次进度报告以来，已有11,400多名独立用户下载了VMD的开发版本。最新版本VMD 1.8.4于2006年4月16日发布。正在进行的VMD开发包括用于结构构建、多序列比对和模拟分析的其他工具、新的和改进的图形表示以及多处理器性能的改进。VMD的下一版计划在#年夏天发布

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. VMD [49] is a molecular visualization program that provides interactive biomolecular display and analysis capabilities. VMD incorporates scripting and plugin interfaces for user-extensibility and automation of complex tasks. (http://www.ks.uiuc.edu/Research/vmd/) VMD runs on all major operating systems and supports computers ranging from laptops to supercomputers. VMD utilizes advanced hardware technologies including stereoscopic displays, six-degree-of-freedom input devices with haptic feedback, multiprocessor and clustered rendering systems, OpenGL, programmable shading, and 64-bit processors. In the past year, VMD has been extended with new structure building tools that assist biomedical researchers with building all-atom molecular models and preparing simulations. VMD now processes structures with multiple conformations, special bonds, biological unit transformations, and can automatically regenerate some types of missing information. A new volumetric map generation tool synthesizes volumetric density and occupancy maps from molecular dynamics trajectories for use in analysis and visualization. New graphical representations allow researchers to visualize very large molecular models with reduced detail and efficient rendering algorithms. Several new plugins provide additional molecular and volumetric file format support. More than 10,300 new users registered and downloaded VMD 1.8.3 since the previous progress report. As of April, 2006, over 17,200 unique users had registered and downloaded this version. Three plugin updates were released for VMD 1.8.3 since the previous progress report. Over 11,400 unique users have downloaded developmental versions of VMD since the last progress report. The latest version, VMD 1.8.4, was released on April 16, 2006. Ongoing VMD developments include additional tools for structure building, multiple sequence alignment, and simulation analysis, new and improved graphical representations, and multiprocessor performance improvements. The next release of VMD is planned for the summer of