Mendeleev: A Molecular Weight Calculator For Palm Devices

Version 1.0

User's Manual
© 2000 by Robert Zehner
zehner@pobox.com

Last Updated: January 29, 2000

The latest version of this manual can always be found at http://www.pobox.com/~zehner/palm/mendeleev.html
Download the software
ZIP -or- SIT -or- PRC

Introduction

Mendeleev is a molecular weight calculator for Palm devices. I wrote this program because (1) I'm a chemist, so I thought it would be a useful thing to have. (2) I wanted to learn how to program for the Palm, and this seemed like an easy enough example. Thus, this is a pretty straightforward application, without a lot of bells and whistles. I have ideas for more functions that I'd like to add in the future, when I have time. Until then, if you have comments, questions, bug reports or suggestions, please e-mail me and I'll try and get back to you as soon as possible.

Mendeleev is freeware -- no strings attached. Well, maybe one. If you like it, and you want to show your appreciation, send me a cool postcard with your name and e-mail address. I'll add you to the list of registered users, and I'll be sure to notify you when updates are available. Feel free to give this program away to anyone who might want a copy. If you redistribute this program, please include a copy of this manual, or a link to http://www.pobox.com/~zehner/palm/mendeleev.html. If you would like to include Mendeleev in any commercial package, let me know first.

Send postcards to:
Robert Zehner
c/o Lucent Technologies
Rm 1A-319
600 Mountain Avenue
Murray Hill, NJ, 07974, USA

Hardware Requirements

Mendeleev requires a handheld device running Palm OS 2.0 or greater, and occupies 7K of memory. If you have a Palm OS 1.0 device, and would like to use this program, please contact me. Currently, I have only tested this program under Palm OS 3.0 and 3.3, so if you find any bugs on other platforms, let me know.

Installation

The only file you need to place on your Palm is mendeleev.prc. Depending on which version of the HotSync Manager you are using, you can accomplish this by either running the Palm Install Tool from the Start Menu, or you can start the install tool automatically by double-clicking on the .prc file. Then HotSync to install the program.

Instructions

Start Mendeleev from the Applications menu. You will see two lines. On the Formula: line, enter a chemical formula. A valid formula consists of a list of elemental symbols, each optionally followed by a coefficient. Capitalization matters !!! In addition, groups of symbols can be contained within parentheses, in which case the following coefficient applies to everything within the parentheses. Don't include any spaces or other characters. Some examples:

Formula	Valid?
CH3Br	Yes
CH3(CH2)12Br	Yes
3CHBr	No
((CH3)2CH)3Si	Yes

Next, press the 'Calculate' button. The molecular weight will be printed on the M.W. line. If you made a mistake in the formula, an error box will appear, and the weight will not be displayed. Fix the mistake and try again.

Notes

You may ask, "Why do I have to use both capital and lower-case letters in writing my formulas?" To answer that, consider the formula 'hos'. Does this mean HOs, or is it HoS, or maybe HOS? Without capitalization, it's hard to tell.
The molecular weight is always returned to four decimal places. However, the number of significant figures in the answer may be greater or less, depending on the standard error in the masses of the elements. The result is truncated, not rounded.
The atomic symbols and masses used in this program were obtained from the WebElements online periodic table, http://www.webelements.com, which derives from the 1995 IUPAC standard. In addition, I have included a few "macros" which I have found useful:
- 'Tms' = trimethylsilyl = (CH3)3Si
- 'Tips' = triisopropylsilyl = ((CH3)2CH)3Si
- 'Ace' = acetate = COCH3
- 'Ph' = phenyl = C6H4

To Do

Use global variables to save the state of the formula and molecular weight when program exits
Allow user to specify mathematical precision of answers
Implement significant figures to automatically adjust precision of the result
Allow user-defined macros in formulas
Calculate weight percentages for C,H,N elemental analysis

Disclaimers

This software is harmful or fatal if swallowed. Concentration and inhalation of vapors may cause coma, death or a nasty rash. While every attempt has been made to make this a quality, bug-free piece of software, the author provides no guarantee of the correct operation of this software or the correctness of its results, nor will he be liable for any damages resulting from the use of this program, including but not limited to the loss of data. Hey, you get what you pay for, right?

Mendeleev is an independent product of the author. It is in no way supported, endorsed or owned by Lucent Technologies, even though I happen to work for them.