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Old 03-11-2008
Hyperic HQ 3.2.1
Mon, 10 Mar 2008 00:00:00 PST

ImageAbout Hyperic HQ
Open source web infrastructure management software that reduces the workload for operations teams at the world's biggest web companies, including CNET Networks, hi5 Networks, eHarmony.com, Rackspace's Mosso, and more. Its award-winning Hyperic HQ software auto-discovers and updates asset inventory and allows operations teams to perform cross-platform monitoring, diagnostics and control from a remote, web-based console, helping them more quickly pinpoint, correct, and prevent problems at every major layer-including hardware, networks, virtualization and applications.

Hyperic's technology-neutral approach enables manageability across 65+ technologies in the market today as well as those of tomorrow.

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LEARN ABOUT DEBIAN

obenergy

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

NAME

     obenergy -- calculate the energy for a molecule

SYNOPSIS

     obenergy [OPTIONS] filename

DESCRIPTION

     The obenergy tool can be used to calculate the energy for molecules inside (multi-)molecule files (e.g., MOL2, etc.)

OPTIONS

     If no filename is given, obenergy will give all options including the available forcefields.

     -v    Verbose: print out all individual energy interactions

     -ff forcefield
	   Select the forcefield

EXAMPLES

     View the possible options, including available forcefields:
	   obenergy

     Calculate the energy for the molecule(s) in file test.mol2:
	   obenergy test.mol2

     Calculate the energy for the molecule(s) in file test.mol2 using the Ghemical forcefield:
	   obenergy -ff Ghemical test.mol2

     Calculate the energy for the molecule(s) in file test.mol2 and print out all individual energy interactions:
	   obenergy -v test.mol2

SEE ALSO

     babel(1), obminimize(1), obrotamer(1).

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

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

AUTHORS

     The obenergy program was contributed by Tim Vandermeersch.

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

COPYRIGHT

     Copyright (C) 2007 by Tim Vandermeersch.

      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 License for more details.

Open Babel 2.2							   July 4, 2008 						    Open Babel 2.2