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分子相互作用研究中的实时彩色图形

Real-time color graphics in studies of molecular interactions.

作者信息

Langridge R, Ferrin T E, Kuntz I D, Connolly M L

出版信息

Science. 1981 Feb 13;211(4483):661-6. doi: 10.1126/science.7455704.

Abstract

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.

摘要

对大型生物分子的结构和相互作用进行研究需要坐标数据和三维可视化。传统的分子模型往往与坐标数据关系不大。相比之下,计算机图形学要求显示器直接且准确地呈现数据,并且修改构型的存储和原始结构的恢复都很简单。现已开发出软件,可实时显示多个相互作用分子的彩色线条和表面显示,同时定量监测立体化学。

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