debian man page for viewmol

Query: viewmol

OS: debian

Section: 1

Links: debian man pages   all man pages   forum categories

Format:Original Unix Latex Style Formatted with HTML and a Horizontal Scroll Bar

VIEWMOL(1)																VIEWMOL(1)

NAME
viewmol - a graphical front end for computational chemistry programs
SYNOPSIS
viewmol
DESCRIPTION
viewmol is a graphical front end for computational chemistry programs. It is able to graphically aid in the generation of molecular struc- tures for computations and to visualize their results. The program's capabilities include: o Building and editing of molecules o Visualization of the geometry of a molecule o Tracing of a geometry optimization or a MD trajectory o Animation of normal vibrations or to show them as arrows o Drawing of IR, Raman, and inelastic neutron scattering spectra o Drawing of an MO energy level or density of states diagram o Drawing of basis functions, molecular orbitals, and electron densities o Display of forces acting on each atom in a certain configuration o Display of Miller planes in crystals o Calculation of thermodynamic properties for molecules andreactions o Drawings generated by viewmol can be saved as TIFF, HPGL, or PostScript files o Animations of normal modes can be converted to a video file (MPEG), e. g. for inclusion into World Wide Web documents (requires addi- tional programs available on the Internet) o Interface to the freeware ray tracing program RAYSHADE (input file generation and use of RAYSHADE from within viewmol) o Input and output in a variety of formats, new formats can be added easily by the user viewmol includes a Python interpreter for automa- tion. At present viewmol includes input filters for DISCOVER, DMOL, GAMESS, 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 out- put filter for coordinates. viewmol supports a space ball as input device. The support programs for converting to and from the various coordinate file types may potentially be useful as stand alone utilities. They are split between /usr/share/viewmol (scripts) and /usr/lib/viewmol (C binaries), but individual documentation for them is not available.
SEE ALSO
rasmol (1), gperiodic (1). Complete HTML documentation may be found in /usr/share/doc/viewmol.
AUTHOR
viewmol was written by Jorg-Rudiger Hill <joehill@users.sourceforge.net>. This manual page was written by Drew Parsons <dparsons@debian.org> for the Debian GNU/Linux system (but may be used by others). 18 March 2008 VIEWMOL(1)