Software

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:

• Proteins: Folding
  Determine three-dimensional structure of a protein (tertiary structure) based on its sequence.

• Proteins: Energy and Properties  
  Calculation of protein energies, local minimizations, Monte-Carlo simulations, clustering of protein conformations.

• Proteins: Dynamics
  Molecular dynamics programs.

• Proteins: NMR
  Calculating statistical ensembles of conformations in order to fit into experimentally determined NMR NOE data.

• Other
  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.