International
Tables for
Crystallography
Volume B
Reciprocal space
Edited by U. Shmueli

International Tables for Crystallography (2010). Vol. B, ch. 2.2, pp. 234-235   | 1 | 2 |

Section 2.2.9. Some references to direct-methods packages: the small-molecule case

C. Giacovazzoa*

aDipartimento Geomineralogico, Campus Universitario, 70125 Bari, Italy, and Institute of Crystallography, Via G. Amendola, 122/O, 70125 Bari, Italy
Correspondence e-mail: carmelo.giacovazzo@ic.cnr.it

2.2.9. Some references to direct-methods packages: the small-molecule case

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Some references for direct-methods packages are given below. Other useful packages using symbolic addition or multisolution procedures do exist but are not well documented.

CRUNCH: Gelder, R. de, de Graaff, R. A. G. & Schenk, H. (1993[link]). Automatic determination of crystal structures using Karle–Hauptman matrices. Acta Cryst. A49, 287–293.

DIRDIF: Beurskens, P. T., Beurskens G., de Gelder, R., Garcia-Granda, S., Gould, R. O., Israel, R. & Smits, J. M. M. (1999[link]). The DIRDIF-99 program system. Crystallography Laboratory, University of Nijmegen, The Netherlands.

MITHRIL: Gilmore, C. J. (1984[link]). MITHRIL. An integrated direct-methods computer program. J. Appl. Cryst. 17, 42–46.

MULTAN88: Main, P., Fiske, S. J., Germain, G., Hull, S. E., Declercq, J.-P., Lessinger, L. & Woolfson, M. M. (1999[link]). Crystallographic software: teXsan for Windows. http://www.rigaku.com/downloads/journal/Vol15.1.1998/texsan.pdf .

PATSEE: Egert, E. & Sheldrick, G. M. (1985[link]). Search for a fragment of known geometry by integrated Patterson and direct methods. Acta Cryst. A41, 262–268.

SAPI: Fan, H.-F. (1999[link]). Crystallographic software: teXsan for Windows. http://www.rigaku.com/downloads/journal/Vol15.1.1998/texsan.pdf .

SnB: Weeks, C. M. & Miller, R. (1999[link]). The design and implementation of SnB version 2.0. J. Appl. Cryst. 32, 120–124.

SHELX97 and SHELXS: Sheldrick, G. M. (2000[link]). The SHELX home page. http://shelx.uni-ac.gwdg.de/SHELX/ .

SHELXD: Sheldrick, G. M. (1998[link]). SHELX: applications to macromolecules. In Direct methods for solving macromolecular structures, edited by S. Fortier, pp. 401–411. Dordrecht: Kluwer Academic Publishers.

SIR97: Altomare, A., Burla, M. C., Camalli, M., Cascarano, G. L., Giacovazzo, C., Guagliardi, A., Moliterni, A. G. G., Polidori, G. & Spagna, R. (1999[link]). SIR97: a new tool for crystal structure determination and refinement. J. Appl. Cryst. 32, 115–119.

SIR2004: Burla, M. C., Caliandro, R., Camalli, M., Carrozzini, B., Cascarano, G. L., De Caro, L., Giacovazzo, C., Polidori, G. & Spagna, R. (2005). SIR2004: an improved tool for crystal structure determination and refinement. J. Appl. Cryst. 38, 381–388.

XTAL3.6.1: Hall, S. R., du Boulay, D. J. & Olthof-Hazekamp, R. (1999[link]). Xtal3.6 crystallographic software. http://xtal.sourceforge.net/ .

References

Altomare, A., Burla, M. C., Camalli, M., Cascarano, G. L., Giacovazzo, C., Guagliardi, A., Moliterni, A. G. G., Polidori, G. & Spagna, R. (1999). SIR97: a new tool for crystal structure determination and refinement. J. Appl. Cryst. 32, 115–119.
Beurskens, P. T., Beurskens, G., de Gelder, R., Garcia-Granda, S., Gould, R. O., Israel, R. & Smits, J. M. M. (1999). The DIRDIF-99 program system. Crystallography Laboratory, University of Nijmegen, The Netherlands.
Egert, E. & Sheldrick, G. M. (1985). Search for a fragment of known geometry by integrated Patterson and direct methods. Acta Cryst. A41, 262–268.
Fan, H.-F. (1999). Crystallographic software: teXsan for Windows. http://www.rigaku.com/downloads/journal/Vol15.1.1998/texsan.pdf .
Gelder, R. de, de Graaff, R. A. G. & Schenk, H. (1993). Automatic determination of crystal structures using Karle–Hauptman matrices. Acta Cryst. A49, 287–293.
Gilmore, C. J. (1984). MITHRIL. An integrated direct-methods computer program. J. Appl. Cryst. 17, 42–46.
Hall, S. R., du Boulay, D. J. & Olthof-Hazekamp, R. (1999). Xtal3.6 crystallographic software. http://xtal.sourceforge.net/ .
Main, P., Fiske, S. J., Germain, G., Hull, S. E., Declercq, J.-P., Lessinger, L. & Woolfson, M. M. (1999). Crystallographic software: teXsan for Windows. http://www.rigaku.com/downloads/journal/Vol15.1.1998/texsan.pdf .
Sheldrick, G. M. (1998). SHELX: applications to macromolecules. In Direct Methods for Solving Macromolecular Structures, edited by S. Fortier, pp. 401–411. Dordrecht: Kluwer Academic Publishers.
Sheldrick, G. M. (2000). The SHELX home page. http://shelx.uni-ac.gwdg.de/SHELX/ .
Weeks, C. M. & Miller, R. (1999). The design and implementation of SnB version 2.0. J. Appl. Cryst. 32, 120–124.








































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