Computational Tools

For improved application response, GDIS implements its own basic queuing system. This is simply a background thread that is split off from the main process on startup. In the current implementation, only one background task is executed at a time - although many can be queued and will automatically be run when prior tasks complete. Presented below is a listing of the computational tools available from within GDIS.

Details on each will be added at a later date.

  • Diffraction

  • Energetics

  • Molecular Surfaces

  • Molecular Dynamics Analysis

  • Surfaces Builder