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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 |