OBGUI(1) User's Reference Manual OBGUI(1)NAME
obrotamer -- generate conformer/rotamer coordinates
SYNOPSIS
obrotamer
DESCRIPTION
The GUI interface is an alternative to using the command line and has the same capabilities. The functionality of the GUI mirrors that of
obabel(1).
SEE ALSO obabel(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 oth-
ers 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 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
Check Out this Related Man Page
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
Dear All,
I am considering installing SCO Open Server as an alternative to MS Exchange. Has anybody had any real world experience of using Open Office?
Thanks,
TC. (1 Reply)
Hi,
Are there any GUI (preferably web based) Solaris monitoring tools available for the SPARC platform.
Just to clarify, when i say GUI, I don't mean buttons to configure the Software, of course that would be a plus, but rather GUI in terms of output, like Graphs.
Thanks (6 Replies)
Hello there
Im wondering is there any way to see lpar OS info (like 5.3 or 6.1) in HMC web GUI?
Because in some situation, the lpar is inactive, the only way to check OS version is to activate, this process takes time :)
Tks! (8 Replies)