.Dd October 26, 2017 .Os "Open Babel" 2.4.1 .Dt obrms 1 URM .Sh NAME .Nm obrms .Nd "calculate the RMSD between two chemically identical structures" .Sh SYNOPSIS .Nm .Op Ar -firstonly .Ar filename1 .Ar filename2 .Sh DESCRIPTION Computes the heavy-atom RMSD of identical compound structures. Structures in multi-structure files are compared one-by-one unless -firstonly is passed, in which case only the first structure in the reference file is used. .Sh EXAMPLES .Dl "obrms ref.sdf test.sdf" .Pp Calculate the RMSD between ref.sdf and test.sdf .Sh SEE ALSO .Xr obfit 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) 2001-2007 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.