Control and Prediction of the Organic Solid State |
|
|
Flow chart for use of programs in generating crystal energy landscapesPlease 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 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 |