![]() ![]() Chemistry is no exception from this trend and input of molecular structures directly within a web browser is therefore of utmost importance. Scientific computing is moving more and more in the direction of web services and cloud computing, with servers scattered all around the Internet, and the web browser is becoming the universal scientific user interface. ![]() Information, is affecting in meantime practically all aspects of our life, but scientific and technical applications still benefit proportionally more from the web technology. ![]() * Correspondence: Institutes for BioMedicalResearch, Novartis Campus, CH-4056, Basel, Switzerlandįulllist of author information is available at the end of the article The World Wide Web, introduced originally as a medium for the exchange of scientific One of the most important areas where the interactive molecule structure input is needed is molecule editing within web browsers. Molecule editors are used to create chemical illustrations or as tools to draw queries when searching chemical databases or entering molecules when calculating various molecular properties. Its function is to facilitate entry of molecules or reactions into a computer with help of mouse and keyboard actions, and recently also by using a touch screen. Such a program is known as a molecule editor, molecular editor or structure sketcher. The JSME editor is available for download from the project web page Ī program for the input and editing of molecules is an indispensable part of every cheminformatics or molecular processing system. The editor is compatible with JME, has practically the same user interface as well as the web application programming interface. ![]() This new molecule editor is compact, easy to use and easy to incorporate into web pages.Ĭonclusions: A free molecule editor written in JavaScript was developed and is released under the terms of permissive BSD license. In analogy to JME the new editor is named JSME. In addition to desktop computers, the editor supports molecule editing on touch devices, including iPhone, iPad and Android phones and tablets. 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. Summary: 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. This prompted us to update the JME editor and port it to a modern Internet programming language - JavaScript. 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. One of the most popular tools for molecular structure input on the web is the JME applet. Today, when a web browser has become the universal scientific user interface, a tool to edit molecules directly within the web browser is essential. a program facilitating graphical input and interactive editing of molecules, is an indispensable part of every cheminformatics or molecular processing system. JSME: a free molecule editor in JavaScriptīackground: A molecule editor, i.e. ![]()
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