Warning: This page uses Cascading Style Sheets. We recommend you upgrade to a current version of your favourite browser.

cposs logo

Control and Prediction of the Organic Solid State


Project Background

Project publications

Other project publicity


The Computational Database

The Experimental Database


PDRA & PhD Opportunities

UCL Home

UCL Chemistry Home


Flow chart for use of programs in generating crystal energy landscapes

Please see publications for the methods and programs used for different types of molecules and types of study.

(Solid arrows)  link the programs whose function is essential for generating a crystal energy landscapes for a rigid molecule
(dotted arrows) link additional programs  used for greater accuracy or widerranging  studies.

Click anywhere for a larger version with links to websites of the other programs.

Crystal energy landscapes for model pharmaceuticals currently take 6-12 months to calculate and interpret, depending on the molecule complexity and number of low energy structures.


Enter secure pages (For project members only - password required)

© UCL Chemistry Department 2004. This page was last updated on 17 August, 2017. If you have any problems with this page please email the WebMaster