General Information

XMol is a utility for creating and viewing graphic images of molecules. Although the graphics produced by XMol are of low quality, XMol offers many features such as the ability to create animations for visualizing reaction pathways or molecular vibrations. XMol recognizes many input formats, including GAUSSIAN input and output files.

Running XMol

To run XMol, follow the instructions in the getting started section. Then execute XMol with the command "xmol". The text document ~chem/xmol/xmol.txt contains complete information on the use of XMol. In general, the user must use a text editor to convert output from a program such as GAMESS to a format XMol can read such as XYZ format. Do not be concerned if you get a number of error messages when you run XMol. Xmol complains a lot but it runs fine.

Sample input file for XMol

Water Molecule - XYZ Format
O      .000000     .000000     .114079
H      .000000     .780362    -.456316
H      .000000    -.780362    -.456316

Sample images generated with XMol

Bullet A ball and stick image from the above input file (GIF)
Bullet A ball and stick image of magnesium-porphorin (GIF)


The XMol documentation is available as a text document at ~chem/xmol/xmol.txt. Also check out the XMol home page.

Sample input files can be found at ~chem/xmol/examples

Legal Details

XMol is a freeware product. It is available via anonymous ftp from ftp.msc.edu or from the XMol home page. XMol was written by some folks at the Minnesota Supercomputer Center. Copyright 1990, 1991, 1992, 1993 Research Equipment, Inc. d/b/a Minnesota Supercomputer Center, Inc. All rights reserved.

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April 1998, editor@arc.unm.edu