JSME: a free molecule editor in JavaScript.

JSME: a free molecule editor in JavaScript.
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DOI:
10.1186/1758-2946-5-24
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发表时间:
2013
影响因子:
8.6
通讯作者:
Ertl P
Ertl P
中科院分区:
化学2区
文献类型:
--
作者:
Bienfait B;Ertl P

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分子编辑器,即支持分子的图形输入和交互式编辑的程序,是当今每种化学信息或分子处理系统的必不可少的一部分。 Web浏览器至关重要。 Java Applet由于其维护和支持要求以及安全性问题而面临的实施障碍正在越来越多。 JME编辑器的实际分子编辑Java代码在Google Web Toolkit编译器的帮助下转换为JavaScript,并在此过程中模仿Java运行时环境的GUI特征的自定义库。功能包括亚字符菜单,复制/粘贴,拖放以及撤消/重做功能以及集成的帮助。触摸设备上的分子编辑,包括iPhone,iPad和Android手机和平板电脑。 用JavaScript编写的免费分子编辑者是在宽容的BSD许可证中发布的,该编辑器与JME兼容,实际上具有相同的用户界面以及Web应用程序编程界面。项目网页http://peter-ertl.com/jsme/
A molecule editor, i.e. a program facilitating graphical input and interactive editing of molecules, is an indispensable part of every cheminformatics or molecular processing system. Today, when a web browser has become the universal scientific user interface, a tool to edit molecules directly within the web browser is essential. One of the most popular tools for molecular structure input on the web is the JME applet. Since its release nearly 15 years ago, however the web environment has changed and Java applets are facing increasing implementation hurdles due to their maintenance and support requirements, as well as security issues. This prompted us to update the JME editor and port it to a modern Internet programming language - JavaScript. The actual molecule editing Java code of the JME editor was translated into JavaScript with help of the Google Web Toolkit compiler and a custom library that emulates a subset of the GUI features of the Java runtime environment. In this process, the editor was enhanced by additional functionalities including a substituent menu, copy/paste, drag and drop and undo/redo capabilities and an integrated help. In addition to desktop computers, the editor supports molecule editing on touch devices, including iPhone, iPad and Android phones and tablets. In analogy to JME the new editor is named JSME. This new molecule editor is compact, easy to use and easy to incorporate into web pages. A free molecule editor written in JavaScript was developed and is released under the terms of permissive BSD license. The editor is compatible with JME, has practically the same user interface as well as the web application programming interface. The JSME editor is available for download from the project web page http://peter-ertl.com/jsme/
DOI: 10.1080/10629360310001673917
发表时间: 2003-10-01
影响因子: 3
作者:
Ertl, P;Mühlbacher, J;Selzer, P
通讯作者: Selzer, P
DOI: 10.1186/1758-2946-2-1
发表时间: 2010-02-02
影响因子: 8.6
作者:
Ertl P
通讯作者: Ertl P