Molekel can displaly the following surface types, with optional mapping of electrostatic potential:

  • Electron density
    • Density Matrix
    • Orbitals
  • From grid data read from Gaussian cube or ADF Tape41 files
  • Solvent Accessible Surface as iso-surface
  • Solvent Excluded Surface (Connolly)

Surface resolution is configurable for all surface types through step or probe radius parameters. Bounding box size is configurable for iso-surfaces.

Density MatrixConnolly
OrbitalsVan der Waals