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分子设计器:一款用于在IBM个人电脑上展示蛋白质结构的交互式程序。

MOLECULAR DESIGNER: an interactive program for the display of protein structure on the IBM-PC.

作者信息

Hannon G J, Jentoft J E

机构信息

Department of Biochemistry, School of Medicine, Western Reserve University, Cleveland, OH 44106.

出版信息

Comput Appl Biosci. 1985 Sep;1(3):177-81. doi: 10.1093/bioinformatics/1.3.177.

Abstract

A BASIC interactive graphics program has been developed for the IBM-PC which utilizes the graphics capabilities of that computer to display and manipulate protein structure from coordinates. Structures may be generated from typed files, or from Brookhaven National Laboratories' Protein Data Bank data tapes. Once displayed, images may be rotated, translated and expanded to any desired size. Figures may be viewed as ball-and-stick or space-filling models. Calculated multiple-point perspective may also be added to the display. Docking manipulations are possible since more than a single figure may be displayed and manipulated simultaneously. Further, stereo images and red/blue three-dimensional images may be generated using the accompanying DESIPLOT program and an HP-7475A plotter. A version of the program is also currently available for the Apple Macintosh. Full implementation on the Macintosh requires 512 K and at least one disk drive. Otherwise this version is essentially identical to the IBM-PC version described herein.

摘要

已为IBM-PC开发了一个基本的交互式图形程序,该程序利用该计算机的图形功能,根据坐标显示和操作蛋白质结构。结构可以从输入的文件中生成,也可以从布鲁克海文国家实验室的蛋白质数据库数据磁带中生成。一旦显示出来,图像可以旋转、平移并放大到任何所需的尺寸。图形可以以球棍模型或空间填充模型的形式查看。计算出的多点透视也可以添加到显示中。由于可以同时显示和操作多个图形,因此对接操作是可行的。此外,可以使用随附的DESIPLOT程序和HP-7475A绘图仪生成立体图像和红/蓝三维图像。该程序的一个版本目前也适用于苹果麦金塔电脑。在麦金塔电脑上完全实现需要512K内存和至少一个磁盘驱动器。否则,这个版本与本文所述的IBM-PC版本基本相同。

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