Molecular Science Computing Facility: Software

Other Application Software at MSCF

gOpenMol

gOpenMol is the graphical user interface for OpenMol, for visualizing electrostatic surfaces and grids.

gOpenMol is a program or toolbox for the display of molecules and their properties and the analysis of molecular structures and dynamics trajectories. gOpenMol, as an analysis and display toolbox, can be used for:

static display of molecular structures and properties calculated with external programs
analysis and display of molecular dynamics trajectories
display of molecular orbitals, electron densities
electrostatic potentials from programs like GaussianXX
electrostatic potentials from the UHBD (University of Houston Brownian Dynamics) and the GRID programs.

The version we now have installed on nwvisus is 1.31. Before one can access gOpenMol, the following alias needs to be defined in your .mycshrc file:

    if ("$HOST" == "nwvisus") then
        alias gopen /disk01/gopenmol/bin/rungOpenMol
    endif

To start gOpenMol, enter 'gopen' within a shell window. It is possible to download your own copy of gOpenMol to install on your PC or workstation from the gOpenMol Home Page.

gOpenMol - Home Page - Home page for the gOpenMol development effort in Espoo, Finland - Includes links to tutorials

Molecular Science Computing Facility Software

gOpenMol

Molecular Science Computing Facility
Software