GABEDIT(1) User Manual GABEDIT(1)NAME
gabedit - graphical user interface (GUI) to computational chemistry packages
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
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.
There are no command line options to use.
SEE ALSO mpqc(1)
Documentation (manual and tutorials) is available online at the projects homepage at http://gabedit.sourceforge.net.
Abdul-Rahman Allouche <email@example.com>
Daniel Leidert <firstname.lastname@example.org>
Man-page author for the Debian system.
gabedit 01/2009 GABEDIT(1)
Check Out this Related Man Page
GSPECTRUM(1) gnome-chemistry-utils GSPECTRUM(1)NAME
gspectrum - a small spectrum viewer application
gspectrum [OPTION(S)...] [FILE...]
gspectrum is a simple spectrum visualizer. It is only able to display files in the JCAMP-DX format.
The following options are accepted:
Show application help options.
Print all or just a group of help options. These options are not documented here. Instead see gtk-options(7) and gnome-options(7).
Print gspectrum version information.
SEE ALSO gnome-options(7), gtk-options(7)AUTHORS
Jean Brefort <email@example.com>
Daniel Leidert <firstname.lastname@example.org>
Copyright (C) 2002-2007 Jean Brefort
Copyright (C) 2004-2007 Daniel Leidert
Permission is granted to copy, distribute and/or modify this document under the terms of the GNU General Public License, Version 2 or any
later version published by the Free Software Foundation.
gcu 0.12 $Date: 2009-03-19 10:53:47 +0100 (jeu. 19 mars 2009) $ GSPECTRUM(1)
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