Patent
1991-07-18
1995-01-31
Powell, Mark R.
395159, 395157, G06F 1562
Patent
active
053865073
ABSTRACT:
A computer graphics system for modeling chemical molecules includes simultaneous two-dimensional and three-dimensional display of models of molecules from a single data set, and allows a user to edit in either two dimensions or three dimensions. A two-dimensional model may be stylized while a three-dimensional model of the same molecule remains chemically (geometrically) correct. The system has editing tools for use in both two dimensions and three dimensions, and changes made in one mode are immediately reflected in the other, and the editing tools include manipulation components for the user to display on elements of a model, and to use to move parts of a model of a molecule relative to other parts. The system includes techniques for structure determination and display that significantly reduce the computer power required to perform system functions, rendering techniques formally reserved to supercomputers usable on smaller computer platforms. Physically based modeling is included, allowing the user to perturb the geometry of a model and to investigate interactively the effects of perturbation according to a dynamic force equation. The system also includes a procedure for displaying multiple models of molecules and performing docking studies between the models.
REFERENCES:
patent: 4473890 (1984-09-01), Araki
patent: 5249137 (1993-09-01), Wilson
Cohen, "ISIS", MacWeek, Mar. 5, 1991, p. 12(1).
Cohen, "Chem 3D Lines Gets Pair of Updates", MacWeek, Mar. 5, 1991, p. 12(1).
Seiter, "Alehemy II 1.01", MacWorld, Oct. 1990, p. 235.
Data Sources Report, Products: ChemDraft II, Alchemy II, Chem3D Plus, Chem 3D, Ziff-Davis Pub. Co., 1991.
J. Am. Chem. Soc., 1991, 113, pp. 1071-1072.
Edel, "The Tinkertoy Graphical Programming Environment", IEEE Trans. on Software Eng., Aug. 1988, pp. 110-115.
Myers, "Window Interfaces", IEEE Computer Graphics and Appl., Sep. 1988, pp. 65-84.
Zueker, "New for IBM and MAC", Newsbytes, Mar. 12, 1991.
Stryer, "Biochemistry", Freeman Press, New York, 3rd ed., 1988, pp. 4-5.
Witlock, "On the Konic Nature of Conformational Pictures and their Recognition", J. Org. Chem., vol. 56, 1991, pp. 7297-7305.
Advanced Organic Chemistry, 3rd ed., John Wiley & Sons, 1985, pp. 96-99.
Brooks, F. P., Jr., et al., Computer Graphics, 1990, 24 177-185. "Project Grope-Haptic Displays for Scientific Visualization".
Chen, M., et al., Computer Graphics, 1988,22, 121-129, "A Study in Interactive 3-D Rotation Using 2-D Control Devices".
McCammon, J. A.; Harvey, S. C..; "Dynamics of Proteins and Nucleic Acids", Cambridge University Press: Cambridge, England (1987) 35, 36, 54-57.
Nielson, G. M.; Olsen, D. R., Jr., Proceedings of 1986 Workshop on Interactive Computer Graphics, 1986, 175-182. "Direct Manipulation Techniques for 3D Objects Using 2D Locator Devices".
Hannessian, S., et al., J. Chem. Inf. Comput. Sci., 1990, 30, 413-425 "Computer Assisted Analysis and Perception of Stereochemical Features in Organic Molecules Using the CHIRON Program".
Weininger, D., J. Chem. Inf. Comput. Sci., 1990, 30, 237-243 "Smile. 3. Depict. Graphical Depiction of Chemical Structures".
Kahn Scott D.
Teig Steven L.
Breene John E.
Jones Allston L.
Powell Mark R.
LandOfFree
Computer graphics system for selectively modelling molecules and does not yet have a rating. At this time, there are no reviews or comments for this patent.
If you have personal experience with Computer graphics system for selectively modelling molecules and, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and Computer graphics system for selectively modelling molecules and will most certainly appreciate the feedback.
Profile ID: LFUS-PAI-O-1107780