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obrms(1) General Commands Manual (urm) obrms(1)

NAME

obrms —
calculate the RMSD between two chemically identical structures

SYNOPSIS

obrms [-firstonly] filename1 filename2

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.

EXAMPLES

obrms ref.sdf test.sdf

Calculate the RMSD between ref.sdf and test.sdf

SEE ALSO

obfit(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 Babel, 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 MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License for more details.

October 26, 2017 Open Babel 2.4.1