Finding crystal structures from few diffraction data by a combination of a random search with genetic algorithms

Journal of Applied Crystallography

Volumn 41, Issue 4, 2008, Pages 784-790

  Immirzi, Attilio ^a   Erra, Loredana ^a   Tedesco, Consiglia ^a  

^a UNIVERSITY OF SALERNO   (Italy)

Author keywords

Computer programs; Genetic algorithms; Random search algorithms; Sparse diffraction data; Structural analysis; TRY

Indexed keywords

EID: 47549106476     PISSN: 00218898     EISSN: 16005767     Source Type: Journal    
DOI: 10.1107/S0021889808020074     Document Type: Article

References (22)

1. Allen, F. H. (1998). Acta Cryst. A54, 758-771.
2. Cheung, E. Y. & Harris, K. D. M. (2006). Z. Kristallogr. Suppl. 23, 15-20.
3. Coelho, A. A. (2000). J. Appl. Cryst. 33, 899-908.
4. David, W. I. F., Shankland, K. & Markavardsen, A. J. (2003). Crystallogr. Rev. 9, 13-15.
5. David, W. I. F., Shankland, K. & Shankland, N. (1998). J. Chem. Soc. Chem. Commun. pp. 931-932.
6. Favre-Nicolin, V. & Černý, R. (2002). J. Appl. Cryst. 35, 734-743.
7. Grochala, W., Hoffmann, R., Feng, J. & Ashcroft, N. W. (2007). Angew. Chem. Int. Ed. 46, 3620-3642.
8. Halgren, T. A. (1992). J. Am. Chem. Soc. 114, 7827-7843.
9. Hanson, A. J., Cheung, E. J. & Harris, K. D. M. (2007). J. Phys. Chem. B, 111, 6349-6356.
10. Harris, K. D. M., Johnston, R. L. & Kariuki, B. M. (1998). Acta Cryst. A54, 632-645.
11. Hynes, R. C. & Le Page, Y. (1991). J. Appl. Cryst. 24, 352-354.
12. Immirzi, A. (2007a). J. Chem. Info. Model. 47, 2263-2265.
13. Immirzi, A. (2007b). J. Appl. Cryst. 40, 1044-1049.
14. Kariuki, B. M., Serrano-Gonzalez, M., Johnston, R. L. & Harris, K. D. M. (1997). Chem. Phys. Lett. 280, 189-195.
15. Katrusiak, A. (2008). Acta Cryst. A64, 135-148.
16. Kikolski, E. M., Davison, M., Lalancette, R. A. & Thompson, H. W. (2006). Acta Cryst. E62, o2641-o2643.
17. Pagola, S., Stephens, P. W., Bohle, D. S., Kosar, A. D. & Madsen, S. K. (2000). Nature (London), 404, 307-310.
18. Press, W. W., Teukolsky, S. A., Vetterling, W. T. & Flannery, B. P. (1992). Numerical Recipes in Fortran: The Art of Scientific Computing, 2nd ed. New York: Cambridge University Press.
19. Rossi, F., Zanotti, G., Saviano, M., Iacovino, R., Palladino, P., Saviano, G., Amodeo, P., Tancredi, T., Laccetti, P., Corbier, C. & Benedetti, E. (2004). J. Pept. Sci. 10, 92-102.
20. Shankland, K., David, W. I. F., Csoka, T. & McBride, L. (1998). Int. J. Pharm. 165, 117-126.
21. Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.
22. Wei, T.-B., Zhou, Y.-Q., Zhang, Y.-M. & Zong, G.-Q. (2004). Acta Cryst. E60, o678-o680.