MOLVIEW - A PROGRAM FOR ANALYZING AND DISPLAYING ATOMIC STRUCTURES ON THE MACINTOSH PERSONAL-COMPUTER
MOLVIEW - A PROGRAM FOR ANALYZING AND DISPLAYING ATOMIC STRUCTURES ON THE MACINTOSH PERSONAL-COMPUTER
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DOI：
10.1016/0263-7855(94)00019-o
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发表时间：
1995-04-01
期刊：
影响因子：
--
通讯作者：
SMITH, TJ
中科院分区：
文献类型：
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作者：
SMITH, TJ
描述了一个允许用户在任何Macintosh个人计算机上分析和显示原子结构的程序。该程序读取ASCII格式的结构文件，包括PDB，绘图文件从图形程序O和FRODO，和直角坐标fi-om ChemDraw 3D。该程序有一个图形界面，具有用于对象和工具的浮动按钮调色板，结构可以使用棒状，球棒状，空间填充和带状模型来显示。每种类型的图纸都可以根据各种方案进行着色，以突出不同的结构方面。图形可以旋转，以立体声显示，并使用剪贴板，PICT文件或quicktime影片导出。该结构可以通过显示氢键、绘制拉马钱德兰图、标记原子、测量距离和寻找邻近的原子来进一步分析。通过使用麦金塔电脑并强调图形界面，该程序有助于为学生和研究人员带来结构分析，这些学生和研究人员可能无法访问或没有使用大型图形工作站的经验。此外，面向对象的输出PICT图像对于创建易于修改或插入到其他文档（例如，参见参考文献1-3）的出版就绪图是理想的。
A program is described that allows the user to analyze and display atomic structures on any Macintosh personal computer. The program reads ASCII format structure files including PDB, plot files from the graphics programs O and FRODO, and Cartesian coordinates fi-om ChemDraw 3D. The program has a graphical interface that featuues floating button palettes for objects and tools, The structures may be displayed using stick, ball-and-stick, space-filling, and ribbon models. Each type of drawing can be colored according to a variety :of schemes to accentuate various structural aspects. The figures can be rotated, displayed in stereo, and exported using the Clipboard, PICT files, or Quick-Time movies. The structure can be further analyzed by displaying hydrogen bonds, making Ramachandran plots, labeling atoms, measuring distances, and finding neigh boring atoms. By using the Macintosh computer and emphasizing a graphical interface, this program helps to bring structural analysis to students and researchers that may not have access to, or experience with, large graphics workstations. In addition, the object-oriented output PICT images are ideal for creating publication-ready diagrams that can be easily modified or inserted into other documents (e.g., see Refs. 1-3).