Qmol: A program for molecular visualization on windows-based PCs

被引:195
作者
Gans, JD [1 ]
Shalloway, D [1 ]
机构
[1] Cornell Univ, Dept Mol Biol & Genet, Biophys Program, Ithaca, NY 14853 USA
基金
美国国家科学基金会;
关键词
molecular graphics; modelling; molecular trajectory;
D O I
10.1016/S1093-3263(01)00090-0
中图分类号
Q5 [生物化学];
学科分类号
071010 ; 081704 ;
摘要
With the advent of powerful, inexpensive graphics hardware, a variety of molecular modelling tools are now available for personal computers (PCs). While a host of high-quality, free visualization programs exist for Unix-like operating systems, there are relatively few available for Microsoft Windows. Most programs that do run tinder Windows are designed to interactively visualize experimental data and cannot read binary trajectory data generated by molecular simulations. In addition, many of these programs do not accept command line arguments, limiting their ability to serve as a "helper" application to be rim by other applications. To fill this gap in functionality, we present Qmol-a program designed for viewing the output of simulations and theoretical calculations of peptides and small molecules. (C) 2001 by Elsevier Science Inc.
引用
收藏
页码:557 / +
页数:4
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