Computational Chemistry Toolkit

Overview

The Computational Chemistry Toolkit (CCT) is a library of algorithms for structural Computational Chemistry implemented in the Java programming language (so, it is a cross-platform). The CCT classes can be integrated into other Java applications. The CCT includes also implementations for the end-user which can be run either as the applets in a web browser (and so they can be integrated in the user web pages) or as standalone Java applications that run on the desktop.

The CCT is in constant development to improve the existing code and to add new functionality.

The CCT is triple licensed; you may distribute it under an Apache2 style license or the GPL and LGPL. You may select whichever license suits your needs.

CCT Features

• Cross-Platform (MS Windows, Mac OS X, Linux/Unix)
• High-performance 3D rendering using java3d
• Molecular structure editing
• The CCT classes can be integrated into other Java applications
• The CCT standalone applications run on the desktop
• The CCT applets can be integrated into web pages
• Grid functionality using Globus (job submission, job status monitoring, file transfer to/from remote computer using GridFTP)
• Database functionality (MySQL server)

Standalone Applications

Applets

The CCT API and Programming

Send all questions, suggestions and comments to Vlad (vvv900@gmail.com)

Dr. Vladislav Vasilyev

Supercomputer Facility,

The Australian National University,

Canberra, ACT, 0200, Australia

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