This script uses Forcite together with the Dreiding forcefield to compute the electrostatic and hydrogen bond contributions to the lattice energy. This can be a useful analysis step after a polymorph prediction sequence. The script adds two new columns to a study table named "Electrostatic energy" and "Hydrogen bond energy" which are calculated as

E_latt = E_crystal/(#molecules per cell) - E_molecule

Geometry optimizations on crystal and molecular structure are performed to obtain forcefield consistent energies.

Minimum version: Materials Studio 4.2 (should work on 4.1, not tested though)
Modules: MS Forcite

Best regards, Max Petersen