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roundtrip(1)		    User's Reference Manual		  roundtrip(1)

NAME
     roundtrip -- a comparison program for testing roundtrip conversion

SYNOPSIS
     roundtrip filename	filename

DESCRIPTION
     The roundtrip program is essentially a "chemical diff." That is, it will
     return with an error if two files do not have the same number of atoms,
     the same number of	molecules, and where appropriate, the same element and
     coordinates for each atom.

OPTIONS
     If	given two filenames, roundtrip will guess the file format from the ex-
     tension.

EXAMPLES
     Compare two files created via a roundtrip test
	   roundtrip 3d.sdf 3d.xyz

SEE ALSO
     babel(1)

     The web pages for Open Babel can be found at: <http://openbabel.org/>

AUTHORS
     Open Babel	is developed by	a cast of many,	including currrent maintainers
     Geoff Hutchison, Chris Morley, Michael Banck, and innumerable others who
     have contributed fixes and	additions.  For	more contributors to Open Ba-
     bel, see <http://openbabel.org/wiki/THANKS>

COPYRIGHT
     Copyright (C) 1998-2001 by	OpenEye	Scientific Software, Inc.
     Some portions Copyright (C) 2001-2007 by Geoffrey R. Hutchison and	other
     contributors.

      This program is free software; you can redistribute it and/or modify it
     under the terms of	the GNU	General	Public License as published by the
     Free Software Foundation version 2	of the License.

      This program is distributed in the hope that it will be useful, but
     WITHOUT ANY WARRANTY; without even	the implied warranty of	MERCHANTABIL-
     ITY or FITNESS FOR	A PARTICULAR PURPOSE. See the GNU General Public Li-
     cense for more details.

Open Babel 2.2			 July 4, 2008			Open Babel 2.2

NAME | SYNOPSIS | DESCRIPTION | OPTIONS | EXAMPLES | SEE ALSO | AUTHORS | COPYRIGHT

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