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

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

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

gabedit                                              01/2009                                          GABEDIT(1)

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.

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

       There are no command line options to use.

mpqc(1)

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

gabedit [filename]