We are maintaining a depository of computational biology software . The programs that are currently available have been developed in Cornell University by the groups of prof. Ron Elber and prof. Harold Scheraga. This software covers a wide area of applications: protein structure prediction, molecular modeling, molecular dynamics, prediction of crystal structure and others. It can be used on a variety of hardware platforms serially or in parallel. Emphasis is made on the Windows 2000 computing environment.
The depository is classified as follows:
Determine three-dimensional structure of a protein (tertiary structure) based on its sequence.
Energy and Properties
Calculation of protein energies, local minimizations, Monte-Carlo simulations, clustering of protein conformations.
Molecular dynamics programs.
Calculating statistical ensembles of conformations in order to fit into experimentally determined NMR NOE data.
Useful programs that are less related to biological applications. Currently we keep here a program for predicting crystal structure of small molecules
Some programs fit more than one category.