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MicroView
Three Dimensional Molecular Modeling
Version 0.5ß 20-Aug-88
by Wilson Kwok
About MicroView:
If you've ever looked through chemistry texts, you'll find many two-
dimensional diagrams supposedly representing the structure of a molecule.
e.g. H H O O H H Cl
\ / | / | | |
C=C Cl-C-Cl H H-C-C-O-H Cl__C
/ \ \ | | / \
H H O H H Cl Cl
Perhaps you've wondered how these would actually look if you could pop them
off the page and rotate them to different viewing angles. MicroView gives
you the capability to examine structural models in three dimensions!
Using MicroView:
MicroView must be invoked from CLI and supplied with the filename of a
molecule definition file. (denoted by the '.MOL' extension) For example:
1> MicroView Test.mol
The structural model of "Test" would be rendered on the upper 3/4 portion
of the display. A control panel is located on the lower right corner of the
screen. This contains buttons which let you manipulate the molecule and
perform several special functions. It resembles something like this:
___________________________________ __________________
|\ _______________________________ /|\ ______________ /|
| | _____ _____ _____ | | | ________ | |
| | / \ / \ / \ | | | / \ | |
| | | | | | | | | | | | FULL | | |
| | | Z+ | | X- | | Z- | | | | | | | |
| | | | | | | | | | | | SCREEN | | |
| | \_____/ \_____/ \_____/ | | | \________/ | |
| | _____ _____ _____ | | | ________ | |
| | / \ / \ / \ | | | / \ | |
| | | | | | | | | | | | | | |
| | | Y- | | STOP! | | Y+ | | | | | LEGEND | | |
| | | | | | | | | | | | | | |
| | \_____/ \_____/ \_____/ | | | \________/ | |
| | _____ _____ _____ | | | ________ | |
| | / \ / \ / \ | | | / \ | |
| | | | | | | | | | | | | | |
| | | RESET | | X+ | | RND | | | | | EXIT | | |
| | | | | | | | | | | | | | |
| | \_____/ \_____/ \_____/ | | | \________/ | |
| |_______________________________| | |______________| |
|/ \|/ \|
¯¯¯¯¯¯¯¯¯¯¯¯¯¯¯¯¯¯¯¯¯¯¯¯¯¯¯¯¯¯¯¯¯¯¯ ¯¯¯¯¯¯¯¯¯¯¯¯¯¯¯¯¯¯
Gadget Function
EXIT
Exit from program
FULL SCREEN
Hide the control panel and enable full viewing
area (Click left mouse-button to call up
control panel again)
LEGEND
Show what element each colored ball represents
RESET
Reset molecule to initial position
RND
Random molecule rotation for demonstration
purposes (Currently not implemented)
STOP
Freeze rotating molecule to current position
X-
Rotate molecule clockwise around X-axis
X+
Rotate molecule counter-clockwise around X-axis
Y-
Rotate molecule clockwise around Y-axis
Y+
Rotate molecule counter-clockwise around Y-axis
Z-
Rotate molecule clockwise around Z-axis
Z+
Rotate molecule counter-clockwise around Z-axis
All rotational gadgets are additive. This means that every time you click on
one of those gadgets, the molecule will rotate in the indicated direction
an additional 0.05 radians per frame. This allows you to control the
molecule's rotational speed. All other buttons are self-explanatory. Just
experiment with them to see what they do.
Defining Your Own Molecules:
All files that come with MicroView with the ".mol" extension are sample
models. If you're good at geometry, you can easily create your own!
y
|
|
MicroView uses coordinates |
according to the right-hand system. |
The plane of your monitor screen |z
forms the x-y plane with the ------------O------------ x
origin located at the center. |
The positive z-axis points |
straight out towards your face. |
|
|
A complete molecule definition file consists of the molecule name, atom
names and corresponding colors, and 3-tuples representing the points in
space where you want to center an atom. The diameter of an atom is one unit.
Atoms can be rendered in 6 colors: 0=Red, 1=Orange, 2=Yellow, 3=Green,
4=Blue, 5=Purple.
The general format of a molecule file is described here in "C" data types:
%s ; Name of molecule
%d ; Number of different atoms in molecule
%d %s \
: \___________________ ; An array representing all atom color
: / ; values and labels (6 characters max.)
%d %s /
%d ; Number of total atoms in molecule
%f %f %f %d \
: \ ; An array of 3-tuples representing the
: >---- ; the centered location of each atom,
: / ; followed by the atom's color value
%f %f %f %d /
Here is a simple illustrative example:
Linear 5-Atom Molecule ; Name of molecule
3 ; Three different atoms in this molecule
0 C ; Red ball represents carbon atom
3 Cl ; Green ball represents chlorine atom
5 F ; Purple ball represents flourine atom
5 ; Five atoms in this molecule
0 0 0 0 ; Place a red ball at (0,0,0)
-2 0 0 3 ; Place a green ball at (-2,0,0)
-1 0 0 3 ; Place a green ball at (-1,0,0)
1 0 0 5 ; Place a purple ball at (1,0,0)
2 0 0 5 ; Place a purple ball at (2,0,0)
Atoms should be located within an imaginary 4-unit radius sphere centered
at the origin. Atoms that lie outside this region may not appear in the
viewing area, and could result in an erratic display when the molecule is
rotating about. Examine the samples for help in creating your own.
Program Distribution, Inquiries, & Support:
This program is freely distributable to anyone, everywhere. Upload it to
your local BBS. If you find this program useful (or at least interesting)
and have any questions, you can contact me at any of the following BBS's
I'll answer any questions if you need help in creating molecule files, or
want to know how the program works.
Wil Kwok
Elmhurst BBS Battlefield BBS
(718) 565-7482 (718) 969-8156
Both are 300/1200/2400 bps & 24 hrs.
CLICK CLOSE GADGET, OR USE CTRL-C OR CTRL-D TO EXIT