The Development, Status and Scientific Impact of Crystallographic Databases

Acta Crystallographica Section A: Foundations of Crystallography

Volumn 54, Issue 6, 1998, Pages 758-771

  Allen, Frank H ^a,b,c,d,e  

^a CAMBRIDGE CRYSTALLOGRAPHIC DATA CENTRE   (United Kingdom)

^b IMPERIAL COLLEGE LONDON   (United Kingdom)

^c UNIVERSITY OF BRITISH COLUMBIA   (Canada)

^d British Crystallographic Association   (United Kingdom)

^e Europ Crystallographic Association   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0347215040     PISSN: 01087673     EISSN: None     Source Type: Journal    
DOI: 10.1107/S0108767398010563     Document Type: Article

References (54)

1. Abola, E. E., Sussman, J. L., Prilusky, J. & Manning, N. O. (1997). Methods Enzymol. 277, 556-571.
2. Allen, F. H., Barnard, J. M., Cook, A. P. F. & Hall, S. R. (1995). J.Chem. Inf. Comput. Sci. 35, 412-427.
3. Allen, F. H., Bellard, S., Brice, M. D., Cartwright, B. A., Doubleday, A., Higgs, H., Hummelink, T. W. A., Hummelink-Peters, B. G., Kennard, O., Motherwell, W. D. S. Rodgers, J. R. & Watson, D. G. (1979). Acta Cryst. B35, 2331-2339.
4. Allen, F. H., Davies, J. E., Galloy, J. J., Johnson, O., Kennard, O., Macrae, C. F., Mitchell, E. M., Mitchell, G. F., Smith, J. M. & Watson, D. G. (1991). J. Chem. Inf. Comput. Sci. 31, 187-204.
5. Allen, F. H., Harris, S. E. & Taylor, R. (1996). J. Comput. Aided Mol. Des. 10, 247-254.
6. Allen, F. H., Kennard, O., Watson, D. G., Brammer, L., Orpen, A. G. & Taylor, R. (1987). J. Chem. Soc. Perkin Trans. 2, pp. S1-S19.
7. Allen, F. H., Rowland, R. S., Fortier, S. & Glasgow, J. I. (1990). Tetrahedron Comput. Methodol. 3, 757-774.
8. Bergerhoff, G., Berndt, M., Brandenburg, K. & Degen, T. (1998). Unpublished.
9. Bergerhoff, G., Hundt., R., Sievers, R. & Brown, I. D. (1983). J. Chem. Inf. Comput. Sci. 23, 66-69.
10. Berman, H. M., Olson, W. K., Beveridge, D. L., Westbrook, J., Gelbin, A., Demeny, T., Hsieh, S.-H., Srinavasan, A. R. & Schneider, B. (1992). Biophys. J. 63, 751-759.
11. Brese, N. E. & O'Keefe, M. (1992). Acta Cryst. A48, 663-669.
12. Brown, I. D. (1969-1981). BIDICS - Bond Index to the Determination of Inorganic Crystal Structures. Institute for Materials Science, McMaster University, Hamilton, Ontario, Canada.
13. Brown, I. D. (1992). Acta Cryst. B48, 553-572.
14. Brown, I. D. (1997). Acta Cryst. B53, 381-393.
15. Brown, I. D. & Altermatt, D. (1985). Acta Cryst. B41, 244-247.
16. Bruno, I. J., Cole, J. C., Lommerse, J. P. M., Rowland, R. S., Taylor, R. & Verdonk, M. L. (1997). J. Comput. Aided Mol. Des. 11, 525-537.
17. Bürgi, H.-B. (1998). Acta Cryst. A54, 873-885.
18. Bürgi, H.-B. & Dunitz, J. D. (1994). Structure Correlation. Weinheim: VCH Publishers.
19. Cambridge Structural Database (1998). Cambridge Crystallographic Data Centre, 12 Union Road, Cambridge CB2 1EZ, England.
20. Cole, J. C. Kessler, M. & Taylor, R. (1998). Private communication.
21. CRYSTMET (1998). Toth Information Systems Inc., 2045 Quincy Avenue, Gloucester, Ontario K1J 6B2, Canada.
22. Desiraju, G. R. (1989). Crystal Engineering: the Design of Organic Solids. New York: Academic Press.
23. Engh, R. A. & Huber, R. (1991). Acta Cryst. A47, 392-398.
24. Ewald, P. P. (1948). Acta Cryst. 1, 1-2.
25. Ewald, P. P & Hermann, C. (1929). Strukturbericht 1913-28. Leipzig: Akademische Verlagsgesellschaft.
26. Glusker, J. P., Lewis, M. & Rossi, M. (1994). Crystal Structure Analysis for Chemists and Biologists. Weinheim: VCH Publishers.
27. Gray, N. A. B. (1986). Computer-Assisted Structure Elucidation. New York: Wiley.
28. Hall, S. R. (1998). Acta Cryst. A54, 820-832.
29. Hall, S. R., Allen, F. H. & Brown, I. D. (1991). Acta Cryst. A47, 655-685.
30. Hayes, I. C. & Stone, A. J. (1983). J. Mol. Phys. 53, 83-105.
31. Inorganic Crystal Structure Database (1998). ICSD, Fachinformationszentrum Karlsruhe, D-7514 Eggenstein-Leopoldshafen, Germany.
32. International Centre for Diffraction Data (1998). ICDD. 12 Campus Boulevard, Newtown Square, PA 19073-3273, USA.
33. Islam, S. E. & Sternberg, M. J. E. (1989). Protein Eng. 2, 431-442.
34. Jeffrey, G. A. & Saenger, W. (1991). Hydrogen Bonding in Biological Structures. Berlin: Springer Verlag.
35. Jones, G., Willett, P., Glen, R. C., Leach, A. R. & Taylor, R. (1997). J. Mol. Biol. 267, 727-748.
36. Kennard O. & Allen, F. H. (1993). Chem. Des. Autom. News, 8, 1, 31-37.
37. Klebe, G. & Mietzner, T. (1994). J. Comput. Aided Mol. Des. 8, 583-594.
38. Lommerse, J. P. M., Stone, A. J., Taylor, R. & Allen, F. H. (1996). J. Am. Chem. Soc., 118, 3108-3116.
39. Murray-Rust, P. & Bland, R. (1978). Acta Cryst. B34, 2527-2533.
40. Murray-Rust, P. & Motherwell, W. D. S. (1978). Acta Cryst. B34, 2534-2546.
41. Nangia, A. & Desiraju, G. R. (1998). Acta Cryst. A54, 934-944.
42. National Institute of Standards & Technology (1998). Gaithersburg, MD 20899, USA.
43. Nobeli, I., Price, S. L., Lommerse, J. P. M. & Taylor, R. (1997). J. Comput. Chem. 18, 2060-2074.
44. Nucleic Acid Data Bank (1998). NDB, Department of Chemistry, Rutgers University, PO Box 939, Piscataway, NJ 08855-0939, USA.
45. Orpen, A. G., Brammer, L., Allen, F. H., Kennard, O., Watson, D. G. & Taylor, R. (1989). J. Chem. Soc. Dalton Trans. pp. S1-S83.
46. Pauling, L. (1939). The Nature of the Chemical Bond. Ithaca, NY: Cornell University Press.
47. Protein Data Bank (1998). PDB, Biology Department, Brookhaven National Laboratory, PO Box 5000, Upton, NY 11973-5000, USA.
48. Sayle, R. (1996). RASMOL - a Program for Structure Visualization. Glaxo Wellcome Research Centre, Stevenage, Hertfordshire, England.
49. Shankland, K., David, W. I. F., Csoka, T. & McBride, L. (1998). Int. J. Pharm. 165, 117-126.
50. Sutton, L. E. (1959). Table of Interatomic Distances in Molecules and Ions. Spec. Publ. No. 11. London: The Chemical Society.
51. Sutton, L. E. (1965). Table of Interatomic Distances in Molecules and Ions. Spec. Publ. No. 18. London: The Chemical Society.
52. Taylor, R. & Allen, F. H. (1994). Statistical and Numerical Methods of Data Analysis. In Structure Correlation, edited by H.-B. Bürgi & J. D. Dunitz. Weinheim: VCH Publishers.
53. Thornton, J. M. & Gardner, S. P. (1989). Trends. Biochem. Sci. 14, 300-304.
54. Verdonk, M. L. & Taylor, R. (1998). In preparation.