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ElCalc v1.4

MassBalance v1.1

IRAnalyser

Unfolder v1.2

TexEd

NetSet

Maths 24



Click on the links below to download some of the applets and programs I've written. For the time being the programs are free to download and distribute.

I started writing the software during my time as a Masters student in the Jan Boeyens Structural Chemistry group in the School of Chemistry at the University of the Witwatersrand, Johannesburg, South Africa. I am continuing to write the software while doing my PhD at the University of Cambridge, UK. Thanks are extended to the Jan Boeyens group for use of the computer facilities and hosting the software. Thanks are also extended to the various people who have funded and guided the development of the programs.

The programs are not guaranteed and I take no responsibility for conclusions, crashes, corruptions or any other form of mayhem arising from the use of PJF Freeware Programs or PJF Shareware Programs. The programs may not be distributed for profit.

By downloading the files, you agree to the terms above.


Some machines running Windows XP return error code 80000003 when installing. If you get this error a fix is to find the file msvbvm60.dll in the system32 directory and rename it to msvbvm60.dll_0 then run the install program. Do not delete the file. I cannot guarantee that this will not affect the operation of the machine!

Installation Instructions
I am now working with the following installation program: Inno Setup v4.2.0. I have not tested the install files or the programs in all Windows operating systems so I cannot be sure that you won't encounter version errors.

To install the files, click on the links below. A self-installing program should start running.
ElCalc v1.4
A spreadsheet style program that allows the user to use a clickable periodic table to define molecules. Various calculations can then be carried out by entering required data. All values can be copied and pasted from and into Excel (or other programs that support text defined data pasting).

The program was originally written because I needed to make up several different concentrations of acids, each of which had a different percentage purity and density, etc. and I became fed up with doing simple, but tedious, calculations by hand (and having to redo the calculations each time so I wrote a save-load feature as well). Prof. Eva Cukrowska from the Analytical Labs in the School of Chemistry took interest in the program and I added the Stiff Plot facility which is essentially a charge balance plotter.

I know this can all be done in Excel or some other spreadsheet very easily, but that doesn't have a clickable periodic table...
Download ElCalc		Size: 1.6MB	Last updated: 1 March 2004
Please read terms above Install instructions
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MassBalance v1.1
MassBalance came from work done by Andreas Lemerrer who was using a manual trial and error method in trying to find the mass balance of a particularly clumsy combination of substances. Determined that a better way could be developed this package was written. In the end the simplest trial and error proved the best, but this program at least makes it all a bit easier.

The interface is a list of elements which are added to the molecule. Small molecules can also be defined which are added as elemental combinations to the list. As the number of elements is changed the program calculates the mass percentage of each in the molecule and also the mass percentage of each defined small molecule and the mass percentage of each element in each small molecule compared to the total mass. The output is text style and can be copied into any package that supports text pasting.
Download MassBalance	Size: 1.3MB	Last updated: 1 March 2004
Please read terms above Install instructions
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IRAnalyser
In exchange for the use of their labs and assistance for some of the synthetic work I do, IRAnalyser was programmed for the Organometallic Labs in the School of Chemistry. It reads in data from text files formatted in columns (x=wavenumber and y=intensity). The user then uses the mouse to define peak regions. Further input specifications are whether the data is absorbance (in which case the peak search looks for the maximum y-value in the range) or transmittance (in which case the program looks for the minimum value in the range). A dynamic base line correction (which sets all plots to the same baseline at the specified points is also possible. The output is a table of the wavenumber and maximum (or minimum, depending on the mode) intensity of the peaks. This can be saved to a text file which can be directly imported into Excel.

The motivation of the package is based on the observation that the extent of particular reactions can be monitored by the intensity of the IR peaks. But trying to analyse 30 spectra by hand down to 3 decimal places can be quite annoying... hence IRAnalyser.
Download IRAnalyser	Size: 1.9MB	Last updated: 1 March 2004
Please read terms above Install instructions
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Unfolder v1.2
Unfolder started life as a revised version of IRAnalyser for the Protein Folding Group in the Biochemistry department at Wits. They collect copious amount of spectral data from which data at single (or combinations of) wavelengths are extracted and plotted to monitor protein unfolding. This program carries out the extraction, background subtraction and normalisation with minimal user input.

The program design was based on the advice of Sylvia Fanucchi. Supported input are text files with data in x,y columns and files with lists of data. Sample data files come with the program as well as a help file describing basic operation of the program.
Download Unfolder	Size: 1.6MB	Last updated: 1 March 2004
Please read terms above Install instructions
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TexEd
My small bit to help in the drive for moving to free based software that can almost all the things the commercial packages do and almost as well. This program is a Tex editor based around the style of WinEdit. It has the ability to colour code the identifiers and various terms used in the document. It can also do bracket colouring, so that {{}} would come out as: {{}}. It is also written to link directly with MikTex (http://www.miktex.org) using Texify, Yap, DVIPS and DVIPDFm.

The program design was based on the advice of Rhiannon Gwyn. It has the ability to open txt, Tex and rtf files. Due to a quirk in the way I wrote the colouring library the program could, for example, be trained to highlight the codes in HTML, VB, etc by entering the correct definitions into the library. And just for reference, I use TexEd to edit my html.
Download TexEd		Size: 1.9MB	Last updated: 9 March 2004
Please read terms above Install instructions
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NetSet v2 *New version - June 2006*
A little applet useful for people using Windows (tested in 2000 and XP only) and on multiple networks. The program changes the IP, gateway, subnet and up to two DNS settings with the click of a button. An unlimited number of profiles can be created and Netset probes the system to determine the current settings.
Download NetSet		Size: 1.2MB	Last updated: 15 June 2006
Please read terms above Install instructions
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Maths 24
Based on the game by Old Mutual (SA), this game started life several years ago. The idea of the game is to use each of the 4 numbers on the card (once) and the basic maths operators (+,-,*,/) to get to 24. The person who gets it fastest wins that card. At the end of the game (or in this case when you decide to stop playing) the winner is the person with the most points accumulated from the cards they solved.

There are two features of this game I am quite proud of. The one is the AI which is pretty decent. But more than that is the interface for giving the answer. I have written a script interpreter that reads an answer typed by the user and calculates the result (including interpreting brackets).

This game took a while to upload as once I had it at a certain stage with a reasonable AI and a moderately finished interface I stopped work on it. Promptings from a person interested in the game led me to finish it. Please note that as with all PJF Software this game is not distributed with any charge and that Old Mutual may still own copyright to it. If requested to do so by the company holding the copyright I will hand over all source code and the executable files. Please note that in that event, should the company charge for the game, you may be liable to pay a license (although no record is kept of who downloads PJF software).
Download Maths 24		Size: 1.3MB	Last updated: 15 March 2005
Please read terms above Install instructions
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Please send praise, suggestions and general abuse (but please no spam) to:
paul[at]hobbes[dot]gh[dot]wits[dot]ac[dot]za replacing text with symbols as required.

Last update: 2006/06/21