obgui(1) [debian man page]

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

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

NAME

     obconformer -- generate conformer coordinates

SYNOPSIS

     obconformer # of conformers # of optimization steps filename

DESCRIPTION

     The obconformer tool can be used as part of a conformational study by generating random conformers using a Monte Carlo search. The best con-
     former out of the batch of conformers will be output, after taking the supplied number of geometry optimization steps. By default, obcon-
     former uses the MMFF94 force field.

EXAMPLES

	   obconformer 250 100 baseconformer.sdf >rotamer1.sdf

     Generate the best conformer (out of 250) of baseconformer.sdf and write it to rotamer1.sdf after 100 geometry optimization steps

SEE ALSO

     babel(1), obenergy(1), obfit(1), obgrep(1), obminimize(1), obrotate(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) 2001-2008 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