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gabedit - Online in the Cloud

Run gabedit in OnWorks free hosting provider over Ubuntu Online, Fedora Online, Windows online emulator or MAC OS online emulator

This is the command gabedit that can be run in the OnWorks free hosting provider using one of our multiple free online workstations such as Ubuntu Online, Fedora Online, Windows online emulator or MAC OS online emulator

PROGRAM:

NAME


gabedit - graphical user interface (GUI) to computational chemistry packages

SYNOPSIS


gabedit [filename]

DESCRIPTION


gabedit is a graphical user interface (GUI) to computational chemistry (Ab Initio)
packages like: GAMESS-US, Gaussian, Molcas, Molpro, MPQC, Q-Chem, that can help to
generate keywords and options, molecule specifications and the input sections for even the
most advanced calculation types.

Included is an advanced “Molecule Builder” to rapidly sketch in molecules and examine them
in three dimensions. It can further display a variety calculation results (molecular
orbitals; surfaces from the electron density, electrostatic potential, NMR shielding
density; IR and Raman computed spectra; ...). Most major molecular file formats are
supported.

Exporting of a variety of file formats, like Poyray, BMP, JPEG, PNG, PPM and PS, is
available. Even a series of pictures for animation (vibration, geometry convergence,
rotation, contours, planes color-coded) can be automatically generated.

OPTIONS


There are no command line options to use.

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