VIEWMOL is a graphical front end for computational chemistry programs.
It is able to graphically aid in the generation of molecular structures for
computations and to visualize their results. The program's capabilities
include:
- Building and editing of molecules
- Visualization of the geometry of a molecule
- Tracing of a geometry optimization or a MD trajectory
- Animation of normal vibrations or to show them as arrows
- Drawing of IR, Raman, and inelastic neutron scattering spectra
- Drawing of an MO energy level or density of states diagram
- Drawing of basis functions, molecular orbitals, and electron densities
- Display of forces acting on each atom in a certain configuration
- Drawings generated by VIEWMOL can be saved as TIFF, HPGL, or
PostScript files
- Animations of normal modes can be converted to a video file (MPEG),
e. g. for inclusion into World Wide Web documents (requires additional
programs available on the Internet)
- Interface to the freeware ray tracing program RAYSHADE (input
file generation and use of RAYSHADE from within VIEWMOL)
- Input and output in a variety of formats, new formats can be added
easily by the user
At present VIEWMOL includes input filters for DISCOVER, DMOL,
GAUSSIAN 9X, GULP, MOPAC, and TURBOMOLE outputs as well
as for PDB files (VIEWMOL is therefore suited as a viewer for structural
data on the World Wide Web). Structures can be saved as MSI car-files, MDL files,
and TURBOMOLE coordinate files. VIEWMOL's file format has been
added to BABEL so that BABEL can serve as an input as well as an
output filter for coordinates.
VIEWMOL supports a space ball as input device.
Jörg-Rüdiger Hill
Sun May 16 15:38:11 PST 1999