Please note that we have not tested most of these programs ourselves, and do not endorse them.
Codes that work directly with GAMESS.
- a nice X-windows/Unix or Windows program written by Gijs Schaftenaar
at the University of Nijmegen. It displays orbitals, structures,
electrostatic potentials etc. by reading from GAMESS log files, and
has a Z-matrix builder. This program is described in a journal
article, G.Schaftenaar and J.H. Noordik. J. Computer-Aided Mol. Design 14, 123-134 (2000).
- Facio is a Windows molecular modelling software written by Masahiko Suenaga at Kyushu University, which can also run on Intel CPU–based Linux and Macintosh. Facio can prepare GAMESS input, execute calculations, and then visualize the results in a GUI. OpenGL is used for the graphics, which consist of isovalue surfaces for MOs, total density and electrostatic potentials, and options to display IR/Raman spectra and normal modes. Facio is well suited for handling large systems, such as proteins and DNA, and it can make GAMESS input files for the FMO method. By installing Tinker, one can perform geometry optimizations using force fields.
- WebMO - is a free web-based interface
to GAMESS and other computational chemistry programs. WebMO permits
users to build 3-D molecular structures, submit multiple jobs, monitor
job progress, and view text and graphical results all from within a
standard web-browser (no specialized software or plug-ins). The WebMO
homepage has a complete WebMO feature list, system requirements,
screen shots, a working demo, installation and upgrade instructions,
examples, and download information.
- Gabedit - is a free graphical user interface to GAMESS and other computational chemistry programs. Gabedit can prepare GAMESS input, execute calculations, and then visualize the results in a GUI. It is work under Linux, Windows and Mac OSX11.
is a freely available chemical visualisation program for displaying molecules, periodic structures and crystal morphologies. The program has a graphical interface for constructing input files for GAMESS as well as analysing the results from GAMESS calculations. It is based on the GTK toolkit and runs on both Linux and Mac OS X systems.
- Molecular Modeling and Simulation Kit (MaSK) is useful in the visualization of various molecular properties calculated by GAMESS. The goal in building this program was to make it as simple as possible for a beginner or student to use yet full of features to satisfy most researchers who need to visualize various calculated properties and create inputs for new jobs.
JMolEditor is a cross-platform Java program for displaying,
analyzing, editing, and converting molecular systems. It has
intuitive interface and in- built help system. It can parse both
input and output GAMESS files.
- ChemCraft is a Windows
program created by Grigoriy Zhurko at Ivanova State University of Chemistry
and Technology (Russia). The program displays structures, orbitals,
vibrational modes, bond analysis etc. as taken from GAMESS output files.
There are also features for building molecules.
- by Costel Agache from the Department of Wood Chemistry
at the Transylvania University of Brasov in Romania. This program
runs on various Windows PC systems, and is available in a 'try
before you buy' option.
Molecular Dynamics (VMD) is a molecular visualization program for displaying, animating, and analyzing large biomolecular systems using 3-D graphics and built-in scripting. VMD supports computers running MacOS-X, Unix, or Windows, is distributed free of charge, and includes source code.
ScientificGL is a Windows 95/98/NT program available in C source
code as well as binary, and includes molecular surfaces such as the
Spackman and Conelly surfaces used for atomic charge computation.
Also available for Windows 95/98/NT with expanded features described
in the following page:
- MOLEKEL: Advanced Interactive
3D-Graphics for Molecular Sciences, by Peter F. Flukiger; Revision 3.04
by Stefan Portmann. Developed at University of Geneva and CSCS/SCSC-ETHZ.
MOLEKEL is entirely written in ANSI-C and uses the Graphics Library (GL)
of Silicon Graphics for both rendering and the graphical user interface.
It runs on any SGI workstation running IRIX 6.x. The MOLEKEL binary can be
downloaded free of charge after registration. The source code is not
can read and write GAMESS files and can run GAMESS directly on Linux.
The latest version is 8.5 and runs on Windows, Linux and Mac OS X.
Orbdraw can be used to visualize
molecular orbitals and densities, and
Vibrate is capable of animating normal vibrational modes.
- a Windows 95/98/NT OpenGL program, created by Andrew Ryzhkov and
Arcady Antipin at the Institute of Organic Chemistry URC RAS. It can
display 3D molecule models from GAMESS OUT-files.
Codes for converting between file formats
Open Babel is a project designed to pick up where Babel left off, as a cross-platform
program and library designed to interconvert between many file formats used in molecular
modeling and computational chemistry.
Graphics codes that require some file manipulation
by hand or with Babel to work with GAMESS (some just draw pictures,
so they don't work directly with GAMESS at all).
Chime Chime is a browser plug-in that renders 2D and 3D molecules directly within a Web page. The molecules are "live", meaning they are not just static pictures, but chemical structures that scientists can rotate, reformat, and save in various file formats for use in modeling or database applications.
(Read as See in 3D) is a free viewer from the
National Center for Biotechnology Information. It uses PDB
files converted to the ASN.1 format available thru
ChemOffice Net is a Macintosh and Windows suite (free to
nonprofit and educational users) that will allow you to view the
chemical structures and molecular models available at the
and at other sites on the Net. CS ChemOffice Net 3.1 contains a
subset of the features of the commercially availible CS ChemOffice
Pro 3.1. To create your own models you would need to purchase the
is a simple, portable molecular graphics program that
interactively displays 3D ball-and-stick models using Xwindows.
Flex is capable of animating sequences of PDB data.
"Free molecular visualization program, protein structure,
DNA structure, PDB, molecular rendering, biological macromolecule,
unix, linux, free software download, open source software, unofficial
release, Damir Zucic."
With gOpenMol small molecules, and to lesser extent protein structures, as well as the chemical properties, total electron densities and molecule orbitals of small molecules can be visualized and analyzed.
is a command-line driven interactive plotting utility for UNIX,
MSDOS, and VMS platforms (Macintosh port is availible). It is a
graphical program which allows scientists to visualize
mathematical functions and data. 3-D surfaces can be plotted as a
mesh fitting the specified function, or as a contour plot on the
x-y plane. For 2-d plots, there are also many plot styles. Many
use this for viewing potential energy surfaces.
- info-mac science archive of files and applications for the Macintosh.
is a chemical drawing package that is free for educational use and
personal use at home. It's availible for both windows and the
Macintosh. ISIS/Draw supports MOL, TGF, and RXN formats.
Create and edit input files on an IBM PC, would require a little
work or babel to convert to the GAMESS $DATA format.
is a free graphics program for manipulating biological
macromolecules, with emphasis on protein or DNA
structures determined by NMR. It runs on
UNIX and Windows NT/95.
makes ball-and-stick animations of molecular structures, and runs
on PC-DOS, IBM RS/6000, and SGI workstations. It is free to
- Pro3D is a program developed for
molecular modeling, analyzing, modifying and visualizing 3-dimensional protein structure.
Current version can read all PDB.ENT file format.
A Macintosh/Unix/Windows program for viewing molecules.