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552. STICK: 2-D Graphics System
by J. M. Leonard, DRDEC, Aberdeen Proving Ground,
Maryland 21010
The software package STICK provides the chemist with
static, two-dimensional monochrome or color molecular
displays on an inexpensive graphics terminal (or
microcomputer).
STICK offers many capabilities:
1. Structures can be viewed as a stick figure,
"ball-and-stick" representation or contact-
sphere representation.
2. Color coding is used to describe the atom
pair for each bond, as well as each atom in the
"ball-and-stick" and contact-sphere
representations.
3. Both orthographic and depth-cued projections
can be generated.
4. Atoms can be labeled by atom type or formal
charge. (This option assumes a formal charge
file has been created prior to entering STICK.)
5. Individual atom types can be omitted from the
display.
6. Up to ten structures can be simultaneously
displayed.
7. Structures can be rotated about or translated
along any of the Cartesian axes.
8. Structures can be saved to disk, scaled to a
common coordinate system.
9. Bond Stretch/Bend and Torsional strain
energies (as calculated by MM2) can be
displayed, color-coded by magnitude.
Currently, STICK supports the Tektronix 4010 and 4105
family of terminals, along with terminals (or software)
that emulate either of these Tektronix terminals. In
addition, STICK supports the Digital Equipment
Corporation MicroVAX-II/GPX 2-D color graphics
workstation.
A major advantage of this system is that one is not
required to obtain any proprietary graphics library in
order to make use of it.
As with all graphics systems, this one is computer
dependent and will work on precisely the equipment
listed. This system can also be made to work on the
VAX 11/780 with a monochrome Tektronix 4010 or 4105
(details are outlined in the documentation).
FORTRAN (VAX)
Lines of Code: 4391
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