Abstract
BackgroundChemozart is a 3D Molecule editor and visualizer built on top of native web components. It offers an easy to access service, user-friendly graphical interface and modular design. It is a client centric web application which communicates with the server via a representational state transfer style web service. Both client-side and server-side application are written in JavaScript. A combination of JavaScript and HTML is used to draw three-dimensional structures of molecules.ResultsWith the help of WebGL, three-dimensional visualization tool is provided. Using CSS3 and HTML5, a user-friendly interface is composed. More than 30 packages are used to compose this application which adds enough flexibility to it to be extended. Molecule structures can be drawn on all types of platforms and is compatible with mobile devices. No installation is required in order to use this application and it can be accessed through the internet. This application can be extended on both server-side and client-side by implementing modules in JavaScript. Molecular compounds are drawn on the HTML5 Canvas element using WebGL context.ConclusionsChemozart is a chemical platform which is powerful, flexible, and easy to access. It provides an online web-based tool used for chemical visualization along with result oriented optimization for cloud based API (application programming interface). JavaScript libraries which allow creation of web pages containing interactive three-dimensional molecular structures has also been made available. The application has been released under Apache 2 License and is available from the project website https://chemozart.com.
Highlights
Introduction to methodology and encoding rulesJ Chem Inf Comput Sci 28(1)
It is possible to draw sophisticated graphics that are hardware accelerated by GPU; thanks to HTML5 and WebGL
We have developed a 3D molecule editor on top of web components which leads to better performance and maintainability
Summary
Introduction to methodology and encoding rulesJ Chem Inf Comput Sci 28(1): . Murray-Rust P, Rzepa HS (2003) Chemical markup, XML, and the World Wide Web. 4. In the field of computational chemistry, applications which are capable of constructing and viewing 3D structures of molecules play an important role. Such software can be used to by students to understand stereochemical concepts [1]. Avogadro [2], JMol [3], QuteMol [4] and PyMol are few such examples When it comes to web applications capable of constructing 3D chemical structures, there are not many available. It is possible to draw sophisticated graphics that are hardware accelerated by GPU; thanks to HTML5 and WebGL These components are supported by all modern web browsers, especially mobile browsers
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