Abstract
In recent years a number of computerized graphical tools appeared on the market which are of great importance for the chemist, biologist, pharmacologist and toxicologist for the rational molecular design of bioactive compounds such as drugs. In the present paper we want to review several molecular graphics and modeling programs which can be run on microcomputers. An overview is given of available programs discussing of each its possibilités and shortcomings. In particular we introduce a new program named Waalsurf which is a high-quality molecular graphics facility which can be installed on a low-cost PC.
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Burgen, A.S.V., Roberts, G.C.K. and Tute, M.S. (eds), Molecular Graphics and Drug Design, Elsevier, Amsterdam (1986)
Gerson, C.K. and Love, R.A., Technical word processors for scientific writers, Anal. Chem. 59,1031A-1048A (1987)
Gross, E. and Duane, J., Protein graphics: historical development, future directions and microcomputer applications, Comput. Appl. Biosci. 2, 173–179 (1986)
Hubbard, R.E., Colour molecular graphics on a microcomputer, J. Mol. Graphics 1, 13–16 (1983)
Hubbard, R.E., Molecular graphics on microcomputers. In: Molecular Graphics and Drug Design, Burgen, A.S.V., Roberts, G.C.K. and Tute, M.S. (eds), Elsevier, Amsterdam,(1986), pp. 57–73
Huijsmans, D.P., Van Delft. A., Kuip, C.A.C., Waalsurf, molecular graphics on a personal computer, Computers and Graphics 11,449–458 (1987)
Hwu, J.R., Wetzel, J.M. and Robl, J.A., ChemPlate and Hopkins, a template and font for drawing molecular structures with the Macintosh computer, J. Chem. Educ. 64, 135–137
Langridge, R.L., Ferrin, T.E., Kuntz, I.D. and Connolly, M.L., Real-time graphics in studies of molecular interactions, Science 211, 661–666 (1981)
Marshall, G.R., Computer-aided drug design, Ann. Rev. Pharmacol. Toxicol. 27, 193–213 (1987)
Morffew, A.J., Where do we go from here? A personal view on the future of molecular graphics, J. Mol. Graphics 1, 83–87 (1983)
Still, C., Columbia University, USA
Van de Waterbeemd, H. and Testa, B., The parametrization of lipophilicity and other structural properties in drug design, Adv. Drug Res. 16, 85–225 (1987)
Vinter, J.G., Molecular graphics for the medicinal chemist, Chemistry in Britain, 32–38 (1985)
Whitesell, J.K., MacDraw, J. Amer. Chem. Soc. 107, 6140–6141 (1985)
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© 1988 Springer-Verlag Berlin Heidelberg
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van de Waterbeemd, H., Carrupt, PA., Huijsmans, N. (1988). Molecular Graphics and Modeling on the PC. In: Magnenat-Thalmann, N., Thalmann, D. (eds) New Trends in Computer Graphics. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-83492-9_45
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DOI: https://doi.org/10.1007/978-3-642-83492-9_45
Publisher Name: Springer, Berlin, Heidelberg
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