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Viewmol


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OS: Linux, ...

License: Freeware





Viewmol is an open source 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. Viewmol has originally been developed by Joerg-Ruediger Hill and Andreas Bleiber in the Quantum Chemistry Group of Humboldt University with contributions by Arne Dummer, Mariann Krossner, Andreas Buenger, and Andries de Man. Viewmol was named an outstanding product in the German/Austrian Academic Software Award 1993.


Building and editing of molecules
Visualization of the geometry of a molecule as wire frame, stick, ball-and-stick, or CPK models
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
Drawing of properties defined on a grid
Display of forces acting on each atom in a certain configuration
Calculation of thermodynamic quantities for molecules and reactions between them
Drawings generated by Viewmol can be saved as TIFF, PNG, 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 ray tracing program Povray (input file generation and use of Povray from within Viewmol)
Input and output in a variety of formats, new formats can be added easily by the user
Embedded Python interpreter for automation

Viewmol is currently capable to work with

Gaussian outputs
Discover files
DMol3 outputs
Gamess outputs
Gaussian outputs
Gulp outputs
Mopac outputs
PDB files
PQS outputs
Turbomole files
Vamp outputs
any molecular structure file supported by Open Babel

Viewmol can currently write

Turbomole files
Accelrys car and arc files
Gaussian input files
MDL files
any molecular structure file supported by Open Babel

http://viewmol.sourceforge.net/



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