INTERNET RESOURCES FOR MOLECULAR 3D STRUCTURE

分子 3D 结构的互联网资源

• 批准号: 6290484
• 负责人: STEPHEN H. BRYANT
• 金额: --
• 依托单位: NATIONAL LIBRARY OF MEDICINE
• 依托单位国家: 美国
• 资助国家: 美国
• 起止时间: 至
• 项目状态: 未结题
• 来源: https://reporter.nih.gov/project-details/6290484
• 关键词: Internet; chemical information system; chemical models; computer assisted sequence analysis; computer human interaction; computer program /software; computer simulation; computer system design /evaluation; conformation; information retrieval; model design /development; physical model; protein sequence; protein structure

We have developed databases and software useful for comparative analysis of protein three-dimensional structure. These tools are distributed freely to biologists and developers of biotechnology software. MMDB (Molecular Modeling DataBase) is the 3D-structure component of the Entrez molecular biology retrieval system. MMDB is an ASN.1 database where all data items describing macromolecular structure are validated and explicitly listed, so that application software need not contain the complex logic required to retrieve this information from text formats such as PDB files. Work this year has concentrated on addition of accurate taxonomy assignments for macromolecular structures within MMDB, creation of new message and data types for transmission of structure-structure alignment data to local viewers, and on construction of an automated monthly update and indexing system, Pubstruct. CN3D (see in three dimensions) is a multi-structure visualization program distributed as part to the Entrez client software and in a stand-alone version lauchable via the MIME protocol in World- Wide-Web Entrez. The software differs from other public domain viewers in supporting display of multiple aligned structures from Entrezs structure neighbor database, and in supporting simultaneous highlighting/picking of multiple sequence and multiple structure alignments. Other features added this year are on-the-fly alignment of the sequences of homologs, so that an Entrez user may easily map conserved sequence features onto the know 3D structure. These software features are intended to facilitate molecular biologists identification of important structure-function relationships within protein families. - macromolecular 3D structure database molecular modeling - Neither Human Subjects nor Human Tissues

我们已经开发了用于蛋白质三维结构比较分析的数据库和软件。这些工具免费分发给生物学家和生物技术软件开发人员。MMDB（Molecular Modeling DataBase）是分子生物学检索系统的三维结构组件。MMDB是一个ASN.1数据库，其中所有描述大分子结构的数据项都经过验证并明确列出，因此应用软件不需要包含从PDB文件等文本格式检索此信息所需的复杂逻辑。今年的工作集中在MMDB中大分子结构的准确分类分配，创建新的消息和数据类型以将结构-结构对齐数据传输给本地观众，以及构建自动每月更新和索引系统Pubstruct。CN 3D（见三维）是一个多结构的可视化程序，作为一部分分发到Webz客户端软件，并在一个独立的版本，可通过MIME协议在万维网Webz中启动。该软件与其他公共领域查看器的不同之处在于，支持显示来自BZZ结构邻居数据库的多个对齐结构，以及支持同时突出显示/拾取多个序列和多个结构对齐。今年增加的其他功能是同源物序列的实时比对，这样，一个Zeroz用户可以很容易地将保守的序列特征映射到已知的3D结构上。这些软件功能旨在帮助分子生物学家识别蛋白质家族中重要的结构-功能关系。- 大分子3D结构数据库分子建模-既不是人类受试者也不是人类组织