Version 2.0 of the gOpenMol visualization package has been released by Leif
Laaksonen and can be downloaded at http://www.csc.fi/~laaksone/gopenmol/
Versions are available for Win 95/98/ME/2000, Linux, SGI Irix, and Compaq
OSF1.
gOpenMol is designed to allow visualization of molecules, MOs, densities,
etc., as well as animations of vibrations, MD simulations etc. It can read
results from a wide variety of quantum chemistry and simulation programs.
gOpenMol also includes many tools for analyzing structures and trajectories.
New features include:
Handling up to 100,000 atoms
Additional controls for trajectory/MD visualization and analysis (including
variable animation speed)
Ability to define clip planes to allow you to cut away part of a molecule or
orbital to see the interior structure
Ability to define arbitrarily oriented planes for displaying contours (of
MOs, etc)
Additional import filters for new quantum chemistry, MM, and MD programs (23
at last count)
You can find a tutorial that illustrates the features and operations of the
program at
http://www.chem.utah.edu/chemistry/faculty/anderson/gopen.html
The tutorial now includes a section on use of Tcl/Tk scripts to automate
gOpenMol. The scripts can be used to deal with repeated tasks, and can also
be used to produce animated presentations, etc.
Note, as of today, there is a problem with the utility program jaguar2plt
(converts MOs from jaguar format to the plt format used by gOpenMol. If you
don't use Jaguar, don't worry about it. The distribution will be fined in
the next day or so, but if you use Jaguar, you can also download an update
patch that is available at the same web site listed above.
Prof. Scott L. Anderson
Dept. of Chemistry, University of Utah
315 S. 1400 E. Rm 2020
Salt Lake City, UT 84112
Ph: (801) 585-7289 FAX: (801) 581-8433
www.chem.utah.edu/chemistry/faculty/anderson/anderson.html
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