The full article is available on the web . New molecular CAD tools are needed for the design of diamondoid nanostructures. Molecular CAD draws on the principles and techniques of both mechanical CAD and of molecular modeling. However, molecular CAD requires a body of principles and techniques appropriate for its domain. Diamondoid materials are of fundamental interest in nanotechnology.
Diamondoid materials are crystalline.
Molecular CAD software for diamondoid materials must therefore include some form of crystal editor which provides natural and intuitive operators for selecting and manipulating crystal lattices. Another consideration arises from an approach to the design of curved diamondiod structures. We discuss the design of several stuctures utilizing the new techniques.