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1992-03-10
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/--------------------------------------------------------\
| !MolecDemo = Demo version of Molecule drawing program. |
| by Dr. Roderick Ferguson, 1992. |
\--------------------------------------------------------/
To all chemists who use Archimedes machines!!
Here is a demo version of a molecular drawing program that I have been
working on. To learn how to use it, you can get interactive help messages
by running the RISC OS !Help Application. I have included some simple molecule
data files (file type &3FF) for people to play with. Load a file into the
application by dragging it from the directory window into either the main window
or the iconbar icon. The data files were initially created with a more powerful
version of this demo program, and then the minimum energy structures obtained
via the Allinger molecular mechanics program "MM2".
I have released this demo into the public domain to see how many
Archimedes users would be interested in a proper molecule drawing and
editing program (such as some of the packages available on other machines
eg Apple Mac's and IBM PC's.
The data files are in the Molecules directory included with this
Application.
Disclaimer
==========
You use this software at your own risk! The author accepts no
responsibility whatsoever for any damages to hardware or other sofeware
incurred as a result of using (or abusing) this software.
However, this application has been extensively tested and to the best of
the author's knowledge should be bug free. If, however, you find a bug
(perish the thought!!!) then please contact me.
If you are interested in a full blown molecule drawer with features
such as a solid space filling display and a stick display in addition to the
ball and stick display, and an editor (for making or altering existing
structures) AND the ability to save the molecule files themselves or even to
save the screen display as a Draw file (Yes I have thought of this!) then let
me know as I am currently working on a commercial version which will have all
of these enhancements.
You can pass on copies of this program provided that all of the files
in the archive are included.
==========================================================================
I can be contacted at:-
Letter Polymer Laboratory,
------ Chemistry Department,
Heriot-Watt University,
Riccarton Campus,
Edinburgh, Scotland.
Phone 031-449-5111 (extension 4109 or 4239)
-----
Email CHERRF@UK.AC.HERIOT-WATT.VAXA
-----