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.\" Title: GABEDIT
.\" Author: Abdul-Rahman Allouche <allouchear@users.sourceforge.net>
.\" Generator: DocBook XSL Stylesheets v1.73.2 <http://docbook.sf.net/>
.\" Date: 02/15/2008
.\" Manual: User Manual
.\" Source: gabedit
.\"
.TH "GABEDIT" "1" "02/15/2008" "gabedit" "User Manual"
.\" disable hyphenation
.nh
.\" disable justification (adjust text to left margin only)
.ad l
.SH "NAME"
gabedit \- graphical user interface (GUI) to computational chemistry packages
.SH "SYNOPSIS"
.HP 8
\fBgabedit\fR [\fIfilename\fR]
.SH "DESCRIPTION"
.PP
\fBgabedit\fR
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\.
.PP
Included is an advanced
\(lqMolecule Builder\(rq
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\.
.PP
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\.
.SH "OPTIONS"
.PP
There are no command line options to use\.
.SH "SEE ALSO"
.PP
\fBmpqc\fR(1)
.PP
Documentation (manual and tutorials) is available online at the projects homepage at
\fI\%http://gabedit.sourceforge.net\fR\.
.SH "AUTHORS"
.PP
\fBAbdul\-Rahman Allouche\fR <\&allouchear@users\.sourceforge\.net\&>
.sp -1n
.IP "" 4
Program author\.
.PP
\fBDaniel Leidert\fR <\&daniel\.leidert@wgdd\.de\&>
.sp -1n
.IP "" 4
Man\-page author for the Debian system\.
.SH "COPYRIGHT"
Copyright \(co 2004-2008 Daniel Leidert
.br
.PP
This manual page was written for the Debian system (but may be used by others)\.
.PP
Permission is granted to copy, distribute and/or modify this document under the terms of the GNU General Public License, Version 2 or (at your option) any later version published by the Free Software Foundation\.
.PP
On Debian systems, the complete text of the GNU General Public License can be found in
\fI/usr/share/common\-licenses/GPL\fR\.
.sp
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