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.Dd October 26, 2017
.Os "Open Babel" 2.2
.Dt obtautomer 1 URM
.Sh NAME
.Nm obtautomer
.Nd "enumerate tautomer SMILES and canonical tautomer SMILES"
.Sh SYNOPSIS
.Nm
.Op Ar -c
.Ar filename
.Sh DESCRIPTION
Enumerates tautomer SMILES and canonical tautomer SMILES.
.Sh EXAMPLES
.Dl "obtautomer molecule.smi >tautomers.smi"
.Pp
Enumerates tautomers for molecule.smi and writes them to tautomers.smi
.Sh SEE ALSO
.Xr babel 1 ,
.Pp
The web pages for Open Babel can be found at:
\%<\fBhttp://openbabel.org/\fR>
.Sh AUTHORS
.An -nosplit
Open Babel is developed by a cast of many, including currrent maintainers
.An Geoff Hutchison ,
.An Chris Morley ,
.An Michael Banck ,
and innumerable others who have contributed fixes and additions.
For more contributors to Open Babel, see
\%<\fBhttp://openbabel.org/wiki/THANKS\fR>
.Sh COPYRIGHT
Copyright (C) 1998-2001 by OpenEye Scientific Software, Inc.
.br
Some portions Copyright (C) 2001-2008 by Geoffrey R. Hutchison and
other contributors.
.Pp
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.
.Pp
This program is distributed in the hope that it will be useful, but
WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
General Public License for more details.
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