GABEDIT(1)							    User Manual 							GABEDIT(1)

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.

SEE ALSO

       mpqc(1)

       Documentation (manual and tutorials) is available online at the projects homepage at http://gabedit.sourceforge.net.

AUTHORS

       Abdul-Rahman Allouche <allouchear@users.sourceforge.net>
	      Program author.

       Daniel Leidert <daniel.leidert@wgdd.de>
	      Man-page author for the Debian system.

gabedit 							      01/2009								GABEDIT(1)