Free Software by William F. Polik

WebMO 3.00 - WWW Computational Chemistry Software (by Jordan R. Schmidt and William F. Polik).  WebMO is a World Wide Web-based interface to popular computational chemistry packages.  WebMO permits users to draw chemical structures in a 3-D editor, run various calculations, and view numerical and graphical results (energies, structures, partial charges, bond orders, vibrational modes and spectra, NMR shifts and spectra, etc.) all from within a web browser.  The WebMO interface is simple enough for teaching computational chemistry at the undergraduate level, yet flexible enough for research.  WebMO provides support for Gaussian 94/98, MOPAC 6/7/2000, and GAMESS.  WebMO can be installed on nearly any unix or Linux system and is available for free from its homepage at www.webmo.net.  The WebMO home page also has a working demo and many classroom-tested exercises for teaching computational chemistry.

Discus 3.10 - WWW Discussion Board Software (by Kevin W. Paulisse and William F. Polik).  Discus is a moderated discussion board software package.  It is a collection of carefully integrated CGI scripts that are used to host a discussion board on the WWW.  It has a simple, attractive, and intuitive user interface.  Powerful administration capabilities are performed by moderators with a web browser.  There are currently over 30,000 registered implementations of Discus for a wide variety of applications: classroom discussions, electronic conferences, discussion forums, etc.  Discus is written in Perl and runs on unix, Windows NT, and Windows 9X computers.  It is free from its homepage at www.discusware.com/discus .  The Discus home page also has a working demo and links to sites currently using Discus.

Turbo Graphic Tools 5.00 - Turbo Pascal Graphics Library (by William F. Polik).  Turbo Graphics Tools is a graphics library for Turbo Pascal programs.  It overcomes the hardware differences of the CGA (640x200), EGA (640x350), VGA (640x480), Hercules (720x348) graphics adapters and Hewlett-Packard Graphics Language (HPGL) plotters (10000x7200).  Turbo Graphic Tools is intended for programmers wishing to write transportable DOS graphics programs in Turbo Pascal 4.0 or higher.  Features include:

Plot - Plotting, Data Analysis, and Printing Programs (by William F. Polik).  Three compiled DOS programs for plotting (x,y) data, interactively analyzing data, and peak fitting.  The programs include: Paslib - Turbo Pascal Procedures and Functions (by William F. Polik).  Useful utilities and scientific procedures which are not included in Turbo Pascal.  Source code provided.  Routines include: PCSCAN 3.6 - Instrument Scanning and Data Acquisition Software (by Rychard J. Bouwens and William F. Polik).  This software package controls a scanning instrument, such as a laser or monochromator, and acquires data using popular analog-to-digital converter boards.  It is written in Turbo Pascal 6.0 and treats the scanning instrument and data acquisition board as objects and their functionality as methods.  This approach allows for easy replacement of one type of instrument with another within the program.  These programs are used within the Polik research group for recording fluorescence excitation (FE) spectra with lasers and dispersed fluorescence (DF) spectra with monochromators.  Supported hardware include: Numerical Analysis Programs.  Specialized software is available upon request for the analysis of  

 
William F. Polik 
Department of Chemistry 
Hope College 
Holland, MI 49422-9000 
 
phone: (616) 395-7639 
fax: (616) 395-7118 
email: polik@hope.edu 
url: http://www.chem.hope.edu/~polik