Real-time color graphics in studies of molecular interactions.
Real-time color graphics in studies of molecular interactions.
复制标题
分子相互作用研究中的实时彩色图形。
DOI：
10.1126/science.7455704
复制
发表时间：
1981
期刊：
影响因子：
--
通讯作者：
Connolly,ML
中科院分区：
文献类型：
--
作者：
Langridge,R;Ferrin,TE;Kuntz,ID;Connolly,ML
对大型生物分子的结构和相互作用的研究需要坐标数据和三维可视化。正统分子模型通常与坐标数据之间存在脆弱的关系。相比之下，计算机图形学要求显示直接、准确地表示数据，并且修改配置的存储和原始结构的恢复很简单。已经开发出的软件可以实时显示几种相互作用分子的色线和表面显示，同时定量监测立体化学。
Studies of the structures and interactions of large biological molecules require both coordinate data and three-dimensional visualization. Orthodox molecular models often bear a tenuous relationship to the coordinate data. In contrast, computer graphics requires that the display directly and accurately represent the data, and storage of modified configurations and recovery of original structures are simple. Software has been developed that allows real-time display of color line and surface displays of several interacting molecules, while quantitatively monitoring the stereochemistry.