Viewmol For Linux

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 J�rg-R�diger Hill and Andreas Bleiber in the Quantum Chemistry Group of Humboldt University with contributions by Arne Dummer, Mariann Krossner, Andreas B�nger, 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 [email protected]. MAPS is compatible with Viewmol, for example, with respect to input and output filters.

Here are some key features of "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

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

What's New in This Release:

� 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