1 F. H. Allen, J. E. Daview, J. J. Galloy, O. Johnson, O. Kennard, C. F. Macrae, E. M. Mitchell, G. F. Mitchell, J. M. Smith and D. G. Watson, J. Chem. Inf. Comp. Sci., 1991, 31, 187.

2 The Protein Data Bank, Chemistry Department, Brookhaven National Laboratory, Upton, NY.

3 H. S. Rzepa, B. J. Whitaker, and M. J. Winter, J. Chem. Soc., Chem. Commun., 1994, 1907.

4 For specific details of programs and techniques used, see H. S. Rzepa, "Chemistry and the World-Wide-Web", in "Chemistry and the Internet", Ed. S. Bachrach, ACS Publications, 1995, to be published.

5 T.J. Berners-Lee, 'WWW Names and Addresses, URIs, URLs, URNs', CERN, Geneva, 1993. See http://info.cern.ch/hypertext/WWW/Addressing/Addressing.html.

6 N. Borenstein and N. Freed, Internet Request for Comment (RFC) No. 1521, 1993. See also http://www.ncsa.uiuc.edu/SDG/Software/Mosaic/Docs/mailcap.html

7 H. S. Rzepa and P. Murray-Rust, Internet Draft: Chemical Mime Type, May-November 1994 and Jan-July 1995. See ftp://cnri.reston.va.us/internet-drafts/draft-rzepa-chemical-mime-type-00.txt

8 R. Sayle, (Glaxo Group Research, Greenford, Middlesex, UK). RasMol: A Molecular visualisation System, V2.5, 1994.

9 O. Casher, H. S. Rzepa and S. Green, J Mol Graphics, 1994, 12, 226.

10 XMol, Minnesota SuperComputer Center, Minneapolis, Mn, USA., see http://www.arc.umn.edu/GVL/Software/xmol/XMol.html

11 B. J. Whitaker, see http://chem.leeds.ac.uk/Project/mopac-form.html

12 J. J. P. Stewart, MOPAC-93. Available from Quantum Chemistry Program Exchange, University of Indiana, Bloomington, USA.

13 D. O'Hagan and H. S. Rzepa, J. Chem. Soc., Chem. Commun., 1994, 2029.

14 C. Leach and H. S. Rzepa, First Electronic Computational Chemistry Conference, November, 1994. See http://www.ch.ic.ac.uk/eccc.html

15 M. Bycroft, R. N. Sheppard, F. T.- Kwong and A. R. Fersht, Biochemistry, 1990, 29, 7425.

16 K. M. Banks, D. R. Hare and B. R. Reid, Biochemistry, 1989, 28, 6996.

17 D. Thompson, The CCI Interface, National Centre for Supercomputing Applications, University of Illinois, USA. See http://www.ncsa.uiuc.edu/SDG/Software/Mosaic/Docs/cci-spec.html

18 S. R. Hall, F. H. Allen and I. D. Brown, Acta. Cryst., 1991, A47, 655; F. H. Allen, A. Barnard, A. Cook, S. R. Hall, J. Chem. Inf. Comp. Sci., 1994, submitted for publication.

19 T. Taguchi, A. Seko, K. Kitajima, Y. Muto, S. Inoue, K.- H. Khoo, H. R. Morris, A. Dell and Y. Inoue, J. Biol. Chem., 1994, 269, 8762.

20 A. G. M. Barrett, M. L. Boys and T. Boehm, J. Chem. Soc., Chem. Commun, 1994, 1881.

21 B. H. Dunford-Shore, F. Fabrizio, J. Holcomb, W. Wise and T. Kazic, Klotho project; Biochemical Compounds Declarative Database, Institute for Biomedical Computing, Washington University; B. H. Dunford-Shore and T. Kazic, Abstract of papers of the American Chemical Society, 1993, 205, 111. See http://ibc.wustl.edu/klotho/