File: obprop.1

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.Dd November 25, 2005
.Os "Open Babel" 2.0
.Dt obprop 1 URM
.Sh NAME
.Nm obprop
.Nd "print standard molecular properties"
.Sh SYNOPSIS
.Nm
.Ar filename
.Sh DESCRIPTION
The obprop program is a tool to print a set of standard molecular
properties for all molecules in a file. It also serves as example code
for using the Open Babel library (libopenbabel).
.Pp
Output format includes:
.br
name 
.Op Ar Name
.br
mol_weight 
.Op Ar Molecular Weight
.br
num_rings
.Op Ar Number of Rings (by SSSR)
.br
$$$
.Pp
The "$$$" is the separator between multiple molecular entries in a file
.Sh EXAMPLES
.Dl "obprop pyridines.sdf"
.Sh SEE ALSO
.Xr babel 1 ,
.Xr obchiral 1 ,
.Xr obfit 1 ,
.Xr obgrep 1 ,
.Xr obrotate 1 .
.Pp
The web pages for Open Babel can be found at:
<\fBhttp://openbabel.sourceforge.net/\fR>
.Sh AUTHORS
The obprop program was contributed by
.An Fabien Fontaine
.Pp
.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.sourceforge.net/THANKS.shtml\fR>
.Sh COPYRIGHT
Copyright (C) 1998-2001 by OpenEye Scientific Software, Inc. 
Some portions Copyright (C) 2001-2005 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.