Software:Other

Software less closely related to computational biology applications is grouped in this category. At the present moment we have placed here a program developed by Prof. Harold Scheraga's group at Cornell University for crystal structure prediction. 

The CRYSTALG program program locates low-energy minima by deformation (smoothing) of the potential energy surface of crystals and coupling the superbasins in the original energy surface to basins in a highly deformed energy surface. The program does not make use of any information other than the force field parameters and molecular geometry (present version of the CRYSTALG assumes the rigid geometry). As a result of the prediction all the crystal structural parameters and the number of molecules in the unit cell are obtained. Release of a newer version of the program using a Monte Carlo-Minimization search and capable of dealing with flexible molecules is expected soon.