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Comparative review of molecular modelling software for personal computers

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References

  1. CRYS-X: Distributed by the Royal Australian Chemical Institute Division of Medicinal & Agricultural Chemistry, Professor G.A.R. Johnston, Department of Pharmacology, University of Sydney, NSW, Australia 2006.

  2. ALCHEMY: Distributed by Tripos Associates Inc., 1699 South Hanley Road, Suite 303, St. Louis, MO 63144, USA. Reviewed by G.R. Newkome, J. Am. Chem. Soc, 110 (1988) 325.

  3. CAMSEQ/M and CAMSEQ/PC: Distributed by Weintraub Software Design Associates Inc., P.O. Box 42577, Cincinnati, OH 45242, USA.

  4. MGP (Molecular Graphics Package): Distributed by the American Chemical Society, Distribution Office, Department 212, 1155 Sixteenth Street NW, Washington, DC 20036, USA.

  5. MOLGRAF: Distributed by Elsevier-BIOSOFT, 68 Hills Road, Cambridge, CB2 ILA, UK.

  6. PROMODELER I: Distributed by New England Biographics, P.O. Box 29, Peacham, VT 05862, USA.

  7. ‘Molecular Graphics on the IBM-PC Microcomputers’ by F.H. Clarke and J.C. Henkel: Distributed by Academic Press Inc., Orlando, FL 32887, USA. Recently reviewed by Wong, M.G., Chem. Aust., 53 (1986) 209.

  8. PIZZAZ Memory Resident Software for Screen Dumping to any Printer: Distributed by Application Techniques Inc., 10 Lomar Park Drive, Pepperell, MA, USA.

  9. Lennard-Jones, J.E., Proc. R. Soc. London, Ser. A, 198 (1949) 14.

    Google Scholar 

  10. Warshel, A. and Wilson, S., J. Chem. Phys., 33 (1970) 582.

    Google Scholar 

  11. Giglio, E., Nature, 222 (1960) 339.

    Google Scholar 

  12. White, D.N.J., Comput. Chem. 1 (1977) 225.

    Google Scholar 

  13. Weintraub, H.J.R., Ph.D. Dissertation, Western Reserve University, Cleveland, OH, 1975.

    Google Scholar 

  14. SYBYL: Also distributed by Tripos Associates (see 2 above).

  15. MM2: Burkert, U. and Allinger, N.L., Molecular Mechanics, ACS Monograph 177, American Chemical Society, Washington, DC, 1982.

    Google Scholar 

  16. MM2: Molecular Mechanics II (QCPE 423, CDC version of QCPE 395), Profeta, S. Jr., QCPE Bull., 1 (1981) 57.

  17. MDL packages: Distributed by Molecular Design Ltd., 2132 Farallon Drive, San Leandro, CA 94577, USA.

  18. CNINDO: ‘CNDO and INDO Molecular Orbital Program’ (QCPE 141).

  19. CNDO/INDO Computational Package with Z Matrix Program': (QCMPOO1), Bowen, J.D. and Owen, G.S.; Dobosh, P.A. and Baird, N.C., QCPE Bull, 4 (1984) 75.

    Google Scholar 

  20. PLUTO: Written by S. Motherwell of Oxford University. Part of Cambridge Structural Database, Ref. 20.

  21. Tollenaere, J.P., Moereels, H. and Rayinaekers, L.A., Atlas of the Three-Dimensional Structure of Drugs, Elsevier, Amsterdam, 1979.

    Google Scholar 

  22. Cambridge Database: Allen, F.H., Bellard, S., Brice, M.D., Cartwright, B.A., Doubleday, A., Higgs, H., Hummelink-Peters, B.G., Kennard, O., Motherwell, W.D.S., Rodgers, J.R. and Watson, D.C., Acta Crystallogr., Sect. B, 35 (1979)2331.

    Google Scholar 

  23. Allen, F.H., Kennard, O., Taylor, R., Acc. Chem. Res., 16 (1983) 146.

    Google Scholar 

  24. Bernstein, F.C., Koeterle, T.F., Williams, G.J.B., Meyer, E.F., Brice, M.D., Rodgers, J.R., Kennard, O., Shimanonchi, T. and Tasusmi, M., J. Mol. Biol., 112 (1977) 535.

    PubMed  Google Scholar 

  25. Hendrickson, W.A. and Konnert, J.H., In Srinivasan, R., Subramanian, E. and Yathindra, N. (Eds.) Biomol. Struct., Conform., Funct., Evol., Proc. Int. Symp. Meeting 1978, vol. 1, Pergamon, Oxford, 1981. pp. 43–57.

    Google Scholar 

  26. Hendrickson, W.A. and Konnert, J.H., In Diamond, R., Ramaseshan, S. and Venkatesan, K. (Eds.), Comput. Crystallogr., Lect. Int. Winter Sch., 13.01-13.25 Indian Acad. Sci., Bangalore, 1980.

    Google Scholar 

  27. ORTEP: Johnson, C.K., ‘Fortran Thermal-Ellipsoid Plot Program’, Oak Ridge National Laboratory, TN, 1965.

    Google Scholar 

  28. ChemCad: Distributed by C Graph Software Inc., P.O. Box 5641, Austin, TX 78763, USA. Reviewed by E.L. Clennan, J. Am. Chem. Soc., 109 (1987) 2229.

    Google Scholar 

  29. Chemmod: Distributed by U-Microcomputers Ltd., Warrington, Cheshire WA2 8PR, UK.

  30. ChemNote: Distributed by Polygen Corp., 200 Fifth Avenue, Waltham, MA 02254, USA.

  31. WAALSURF: Distributed by Softarts-Actimol, 37 Ch. de Maillefer, CH-1052 Le Mont S/Lausanne, Switzerland.

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  1. Victorian College of Pharmacy Ltd., 381 Royal Parade, 3052, Parkville, Victoria, Australia

    Maruse Sadek & Sharon Munro

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  1. Maruse Sadek
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  2. Sharon Munro
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Sadek, M., Munro, S. Comparative review of molecular modelling software for personal computers. J Computer-Aided Mol Des 2, 81–90 (1988). https://doi.org/10.1007/BF01532084

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