Hi,

There are not many structure prediction software in free access.
GRINSP is a recent one allowing the search for 3D N-connected
frameworks (N = 3, 4, 5, 6), and mixte frameworks. GRINSP is
distributed according to the GNU Public Licence (Fortran code).

Web page : http://sdpd.univ-lemans.fr/grinsp/
Algorithm (Monte Carlo) description at:
http://sdpd.univ-lemans.fr/cod/pcod/GRINSP-Comp-Comm.pdf
Examples of predictions (zeolites, AlF3) at :
http://sdpd.univ-lemans.fr/grinsp/nice.html

The predicted structures are gathered as CIF files (and more) into
the PCOD (Predicted Crystallography Open Database) containing
already more than 700 entries :
http://www.crystallography.net/pcod/

Best wishes with GRINSP.

Armel Le Bail
Université du Maine
Laboratoire des Fluorures
CNRS UMR 6010
Avenue O. Messiaen
72085 Le Mans cedex 9
FRANCE