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RASMOL AB——结构分析程序中的新功能。

RASMOL AB - new functionalities in the program for structure analysis.

作者信息

Pikora Mateusz, Gieldon Artur

机构信息

Intercollegiate Faculty of Biotechnology, University of Gdansk, Medical University of Gdansk, Gdańsk, Poland.

Theoretical Chemistry Group, Faculty of Chemistry, University of Gdansk, Gdańsk, Poland.

出版信息

Acta Biochim Pol. 2015;62(3):629-31. doi: 10.18388/abp.2015_972. Epub 2015 Aug 28.

Abstract

For many years RasMol was one of the most used programs for molecular visualization. It was an excellent tool due to its simplicity and its low demand of computer power. Today it is replaced by OpenGL programs, which have excellent graphics that new computers can additionally handle. Molecular graphics is one of the best tools for the analysis of biomolecular data. With high efficiency and a low demand of computer power, RasMol can still be used as a quick and handy tool used for the analysis of biomolecular structures with good results. In this paper, we describe modifications to the RasMol program, as implemented on the base of RasMol AB 2. We introduced several new functions, namely: the identification of histidine isomers, and advanced structural selection and macro capabilities (as implemented in the point-click menu), which result in an increase in the speed and accuracy of structural analyses. The program can be downloaded from the project page: http://etoh.chem.univ.gda.pl/rasmol/.

摘要

多年来,RasMol一直是最常用的分子可视化程序之一。由于其简单性和对计算机性能的低要求,它是一个出色的工具。如今,它已被OpenGL程序所取代,OpenGL程序具有出色的图形效果,新计算机能够轻松处理。分子图形是分析生物分子数据的最佳工具之一。凭借高效率和对计算机性能的低要求,RasMol仍然可以作为一种快速便捷的工具用于分析生物分子结构,并能取得良好的结果。在本文中,我们描述了基于RasMol AB 2实现的对RasMol程序的修改。我们引入了几个新功能,即:组氨酸异构体的识别,以及高级结构选择和宏功能(如在点击式菜单中实现的),这些功能提高了结构分析的速度和准确性。该程序可从项目页面下载:http://etoh.chem.univ.gda.pl/rasmol/

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