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.