Interactive computer graphics

Corey EJ, Wipke WT, Cramer RD HI, Howe WJ. Computer-assisted synthetic analysis. Facile man-machine communication of chemical structure by interactive computer graphics. J Am Chem Soc 1972 94 421-30. 

Jones TA. Diffraction methods for biological macromolecules. Interactive computer graphics FRODO. Methods Enzymol 1985 115 157-71. 

Foley, JJD. Van Dam, A. Fundamentals of Interactive Computer Graphics Addison-Wesley 1982 Chap. 13. 

The inactive (Ag ,Cu )- and (Ag, Co )-derivatives of BESOD have also been prepared. The EPR spectra of (Ag, Cu")- and (Cu ,Cu")-BESOD were very similar like the visible absorption spectra of (Ag ,Co )- and (Cu, Co")-BESOD. From model fitting to the electron-density map at 0.3-nra resolution by an interactive computer graphics system is was concluded that the bridging His-61 is slightly out of the plane of Cu and its three other histidine ligands . ... 

Kollman P (1985) Theory of complex molecular interactions computer graphics, distance geometry, molecularmechanics, and quantummechanics. Acc Chem Res 18 105—111... 

Barlow, D. J., and Perkins, T. D. (1990). Applications of Interactive Computer Graphics in Analysis of Biomolecular Structures. Nat Prod Rep 7 311. 

A model of the structure must be fit to the map. This used to be done with the "Richards box", a device containing a half-silvered mirror to give the illusion of superposition of a physical model and the electron density map (conventionally contoured in serial sections, traced onto transparent film, and stacked (17).) Recently, some protein structures have been determined using interactive computer graphics to fit a stick model of a structure to an electron density map (18, 19). 

Picture transformations (e.g. rotation, translation, scaling, perspective etc) in interactive computer graphics lend themselves naturally to representation in matrix notation, and implementation of the various algorithms on a vector processor is obviously straightforward and very worthwhile (particularly if moving pictures are required.). For this reason graphical applications of the MVP-9500 will not be discussed here and the interested reader is referred to one of the standard texts in this area (7). 

Newman, W.M. Sproull, R.F. "Principles of Interactive Computer Graphics" McGraw-Hill New York, 1979. 

Corey EJ, Wipke WT, Cramer RD, Howe WJ (1972) Computer-assisted synthetic analysis. Facile man-machine communication of chemical structure by interactive computer graphics, J Am Chem Soc 94/2 421 Wipke WT, Braun H, Smith G, Choplin F, SieberW (1977) SECS — Simulation and evaluation of chemical synthesis Strategy and planning, in Computer-assisted organic synthesis, Wipke WT, Howe WJ ed, ACS Symposium Series, p 98... 

Organic Syntheses. E. J. Corey, W. T. Wipke, R. D. Cramer, and W. J. Howe,/. Am. Chem. Soc., 94, 421 (1972). Computer-Assisted Synthetic Analysis. Facile Man-Machine Communication of Chemical Structure by Interactive Computer Graphics. E. J. Corey, W. T. Wipke, R. D. Cramer, and H. J. Howe,/. Am. Chem. Soc., 94, 431 (1972). Techniques for Perception by a Computer of Synthetically Significant Structural Features in Complex Molecules. 

Jones, T.A. (1985). Interactive computer graphics FRODO. Methods Enzym. 115 157-171. Hendrickson, W. A. (1985). Stereochemically restrained refinement of macromolecular structures. Methods Enzymol. 115,252-270. 

The availability of microprocessor-based interactive computer graphics devices and rapid access disk storage has provided the CAMSEQ/M system with many of the features of the NIH-EPA-CIS (on a smaller scale, of course) and in addition, provides "no-cost", local computational facilities. 

Organic Chemical Synthesis Simulation (OCSS) - This landmark programll effectively removed the barrier between chemist and computer by the use of interactive computer graphics the chemist could communicate with the machine for the first time in the language of structural diagrams. 

Morgenstern and co-workers (263) used interactive computer graphics to analyze the binding of a set of substituted phenylhippurates 35 to chymotry-psin. A model of these substituted phenylhippurates in the active site of... 

M. Cory and J. Bentley, J. Mol. Graphics, 2, 39 (1984). MATCHMOL, an Interactive Computer Graphics Procedure for Superposition of Molecular Models. 

Both these techniques are realized by two software packages Teamwork and P-NUT. Teamwork is a computer aided software engineering (CASE) tool family that automates standard structured methodologies using interactive computer graphics and multiuser workstation power. P-NUT is a set of tools developed by the Distributed Systems Project in the Information and Computer Science... 

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