Overview
What is Viewmol ?
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 Jörg-Rüdiger Hill and Andreas Bleiber in the Quantum Chemistry
Group of Humboldt University with contributions by Arne Dummer, Mariann Krossner,
Andreas Bünger, and Andries de Man. Viewmol was named an outstanding product in the
German/Austrian Academic Software Award 1993.
Commercial quality software based on Viewmol, the
Materials and Processes Simulations (MAPS) platform, with extended functionality and
open interfaces has been developed by Scienomics
and is available by contacting info@scienomics.com.
MAPS is compatible with Viewmol, for example, with respect to input and output filters.
What can I do with Viewmol ?
- 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
What files can Viewmol read ?
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
What files can Viewmol write ?
Viewmol can currently write
- Turbomole files
- Accelrys car and arc files
- Gaussian input files
- MDL files
- any molecular structure file supported by Open Babel
What platforms does Viewmol run on ?
Viewmol is developed on Linux. Therefore all Unix derivatives should potentially
work. Viewmol 2.4.1 is currently available for:
Other operating systems where support for compilation is included are:
- Dec Alpha OSF1
- IBM AIX
- Microsoft Windows (with the Cygwin tools installed)
- Silicon Graphics
- SunOS
If people compile Viewmol on any of these operating systems it would
be appreciated if an executable could be made available.
What is the current version of Viewmol ?
The current stable version is 2.4.1.
What is new in Version 2.4.1 ?
Viewmol 2.4.1 is a bug fix release for Viewmol 2.4. In Viewmol 2.4.1
the following features have been added
- support for Gaussian 03 outputs
- support for VAMP outputs
- a "delay" resource to control animation speed
- user interface in Turkish (incomplete)
- removed dependency on libcxa.so introduced by Intel C compiler
- a few bug fixes
