Orbdraw is a visualization program for displaying molecular orbital and electron density data from Gaussian, Gamess, Jaguar, Hondo, Mopac or Ampac calculations. Orbdraw can display the molecular orbitals, electron densities or spin densities in 3D as either wire frames or solid surfaces and can map orbitals or charges onto the density surfaces. The images can be rotated about any axis. The user may select which orbital to display, the resolution, the threshold value and the type of display. The orbitals are displayed over the molecular structure and the structure can be displayed as either a stick figure or with tubular bonds. The graphics images can be saved in several different graphics formats, and input files for PovRay (www.povray.org) can be generated.
Orbdraw is available for :
Bloomington, IN 47402-3076
Last updated: 3/21/11
firstname.lastname@example.org "Kevin E. Gilbert"
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