Viewmol Graphic tool for computational chemistry programs
Download

Viewmol Ranking & Summary

Viewmol Tags

view viewer generation help generation visualize molecular structure molecular structure visualizer

Viewmol Description

Graphic tool for computational chemistry programs Viewmol is an open source graphical front end for computational chemistry programs. Viewmol is able to graphically aid in the generation of molecular structures for computations and to visualize their results. Viewmol is currently capable to work with: Discover files, DMol3 outputs, Gulp outputs, Mopac outputs, PDB files, PQS outputs, Turbomole files, Gaussian outputs, Gamess outputs, Gaussian outputs, Vamp outputs and any molecular structure file supported by 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 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

Viewmol Related Software