Structures can be drawn online with a JAVA based structure editor. The first result page displays the energy values for the occupied and the unoccupied orbitals. For the visualization, the user can select any number of orbitals. This application requires VRML and JAVA 1.1. The program can open PDB files or build 3D structures from scratch.
Molecular dynamics simulates annealing of the molecule and calculates the trajectory.
The program is powerful enough to perform calculations on DNA fragments and small proteins in a reasonable period of time. The source code is available free of charge. The program requires a browser with JAVA 1.1. Visit our Newsletter Archive to see all of our previous issues. Our newsletter alerts you to new, interesting Web sites.