How can various molecular properties be visualized using ProViz?
The user is provided with high quality graphics tools for visualizing the molecular scalar fields calculated over a grid in the form of • Textured planes. • Contours in 2D and 3D. • Isosurfaces. • Textured vdW surface. The package can evaluate electrostatic potential on van der Waals (vdW) surface and calculate some statistical properties on the surface with corresponding visualization. Any two properties can be cross-textured and visualized on each other. Animated vibrational frequencies of a molecule can be viewed with IR plots if vibrational frequencies are calculated through programs like GAMESS and Gaussian. ProViz also has the option to visualize the Molecular Orbitals (HOMO, LUMO). For this, the corresponding GAMESS or Gaussian output file should contain the wavefunction (Molecular Orbitals or Eigenvectors).
