INTERNATIONAL TABLES

for CRYSTALLOGRAPHY

Volume G

Definition and Exchange of Crystallographic Data

5.2. STAR File utilities

N. Spadaccini, S. R. Hall and B. McMahon

Abstract

The STAR File is a general-purpose data format that explicitly tags data values with identifiers allowing them to be extracted and manipulated without needing to conform to a particular data model. Star_Base is a powerful stand-alone program that parses STAR Files and extracts specific items according to requests formulated in a simple and flexible but powerful query language. Several examples of its use are described, illustrating how the context of a data item is returned along with its value. Star.vim and StarMarkUp are applications for editing and browsing STAR Files. Some libraries and object classes for STAR and generalized CIF applications are also reviewed.

References

Berman, H. M., Battistuz, T., Bhat, T. N., Bluhm, W. F., Bourne, P. E., Burkhardt, K., Feng, Z., Gilliland, G. L., Iype, L., Jain, S., Fagan, P., Marvin, J., Padilla, D., Ravichandran, V., Schneider, B., Thanki, N., Weissig, H., Westbrook, J. D. & Zardecki, C. (2002). The Protein Data Bank. Acta Cryst. D58, 899-907.

Berman, H. M., Westbrook, J., Feng, Z., Iype, L., Schneider, B. & Zardecki, C. (2002). The Nucleic Acid Database. Acta Cryst. D58, 889-898.

BioMagResBank (2004). NMR-STAR Dictionary. Version 3.0. (Under development.) http://www.bmrb.wisc.edu/dictionary/3.0html/.

Chang, W. & Bourne, P. E. (1998). CIF applications. IX. A new approach for representing and manipulating STAR files. J. Appl. Cryst. 31, 505-509.

Knuth, D. E. (1973). The art of computer programming. Vol. 3, Sorting and searching, pp. 422-447. Reading, MA: Addison-Wesley.

Linge, J. P., Nilges, M. & Ehrlich, L. (1999). StarDOM: from STAR format to XML. J. Biomol. NMR, 15, 169-172. [PubMed]

Murray-Rust, P. (1993). Analysis of the DDL/dictionary parsing problem. Proc. First Macromolecular Crystallographic Information File (CIF) Tools Workshop, ch. 12. New York: Columbia University.

Murray-Rust, P. (1998). The globalization of crystallographic knowledge. Acta Cryst. D54, 1065-1070.

Pinson, L. J. & Richard, R. S. (1991). Objective-C object-oriented programming techniques. Reading, MA: Addison-Wesley.

Robie, J., Lapp, J. & Schach, D. (1998). XML Query Language (XQL). http://www.w3.org/TandS/QL/QL98/pp/xql.html.

Schirripa, S. & Westbrook, J. D. (1996). CIFOBJ. A class library of mmCIF access tools. Version 3.01 reference guide. Technical Report NDB-269. Rutgers University, New Brunswick, New Jersey, USA. http://pdb.rutgers.edu/mmcif/CIFOBJ/cifobj/index.html.

Spadaccini, N. & Hall, S. R. (1994). Star_Base: accessing STAR File data. J. Chem. Inf. Comput. Sci. 34, 509-516.

Spadaccini, N., Hall, S. R & Castleden, I. R. (2000). Relational expressions in STAR File dictionaries. J. Chem. Inf. Comput. Sci. 40, 1289-1301.

Ulrich, E. L., Markley, J. L. & Kyogoku, Y. (1989). Creation of a nuclear magnetic resonance data repository and literature database. Protein Seq. Data Anal. 2, 23-37. [PubMed] [ChemPort]

W3C (2004). Document Object Model (DOM). http://www.w3.org/DOM/.

Westbrook, J. D., Hsieh, S.-H. & Fitzgerald, P. M. D. (1997). CIF applications. VI. CIFLIB: an application program interface to CIF dictionaries and data files. J. Appl. Cryst. 30, 79-83.