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gOpenMol


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OS: Linux, Windows, ...

License: Freeware





With gOpenMol small molecules, and to lesser extent protein structures, as well as the chemical properties, total electron densities and molecule orbitals of small molecules can be visualized and analyzed. Data from a variety of computational chemistry programs such as TurboMole, Gaussian, Gamess, etc., can be analyzed if the output files from these programs have been converted into the .plt-file format understood by gOpenMol. Moreover, dynamics done with, e.g., InsightII can be visualized and a short mpeg animation of the dynamics files generated.

gOpenMol is a tool for the visualization and analysis of molecular structures and their chemical properties. The program uses Tcl/Tk scripting engine and can thus be easily extended without modifying the kernel code. gOpenMol can also be extended by writing extensions using sharable objects (Linux/Unix) and dynamic data exchange (Windows) modules. Moreover there is a set of programs and utility functions included in gOpenMol. gOpenMol can be used for the display and analysis of

molecular structures and properties calculated with external programs,
molecular dynamics trajectories,
isocontour surfaces of grid data, such as molecular orbitals and electron densities.
cut planes through grid data sets, and it can also be used to make short animations where a cut plane travels through a molecule grid data.
The program can also be used together with electrostatic potentials from programs like GaussianXX, GAMESS Jaguar, UHBD (University of Houston Brownian Dynamics), AutoDock and the GRID programs.

http://www.csc.fi/english/pages/g0penMol



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