International
Tables for
Crystallography
Volume G
Definition and exchange of crystallographic data
Edited by S. R. Hall and B. McMahon

International Tables for Crystallography (2006). Vol. G. ch. 1.1, pp. 2-10
https://doi.org/10.1107/97809553602060000726

Chapter 1.1. Genesis of the Crystallographic Information File

S. R. Halla* and B. McMahonb

a School of Biomedical and Chemical Sciences, University of Western Australia, Crawley, Perth, WA 6009, Australia, and bInternational Union of Crystallography, 5 Abbey Square, Chester CH1 2HU, England
Correspondence e-mail:  syd@crystal.uwa.edu.au

References

First citation Allen, F. H. (2002). The Cambridge Structural Database: a quarter of a million crystal structures and rising. Acta Cryst. B58, 380–388.Google Scholar
First citation Anklesaria, F., McCahill, M., Lindner, P., Johnson, D., Torrey, D. & Alberti, B. (1993). The Internet gopher protocol (a distributed document search and retrieval protocol). RFC 1436. Network Working Group. http://www.ietf.org/rfc/rfc1436.txt .Google Scholar
First citation ANSI/NISO (1995). Information retrieval (Z39.50): Application service definition and protocol specification. Z39.50-1995. http://lcweb.loc.gov/z3950/agency/1995doce.html .Google Scholar
First citation Barnard, J. M. (1990). Draft specification for revised version of the Standard Molecular Data (SMD) format. J. Chem. Inf. Comput. Sci. 30, 81–96.Google Scholar
First citation Berners-Lee, T. (1989). Information management: a proposal. Internal report. Geneva: CERN. http://www.w3.org/History/1989/proposal-msw.html .Google Scholar
First citation Bernstein, F. C., Koetzle, T. F., Williams, G. J. B., Meyer, E. F. Jr, Brice, M. D., Rodgers, J. R., Kennard, O., Shimanouchi, T. & Tasumi, M. (1977). The Protein Data Bank: a computer-based archival file for macromolecular structures. J. Mol. Biol. 112, 535–542.Google Scholar
First citation Bourne, P., Berman, H. M., McMahon, B., Watenpaugh, K. D., Westbrook, J. D. & Fitzgerald, P. M. D. (1997). Macromolecular Crystallographic Information File. Methods Enzymol. 277, 571–590.Google Scholar
First citation Brown, I. D. (1988). Standard Crystallographic File Structure-87. Acta Cryst. A44, 232.Google Scholar
First citation Busing, W. R., Martin, K. O. & Levy, H. A. (1962). ORFLS. Report ORNL-TM-305. Oak Ridge National Laboratory, Tennessee, USA.Google Scholar
First citation Chapuis, G., Farkas-Jahnke, M., Pérez-Mato, J. M., Senechal, M., Steurer, W., Janot, C., Pandey, D. & Yamamoto, A. (1997). Checklist for the description of incommensurate modulated crystal structures. Report of the International Union of Crystallography Commission on Aperiodic Crystals. Acta Cryst. A53, 95–100.Google Scholar
First citation Fitzgerald, P. M. D., Berman, H., Bourne, P., McMahon, B., Watenpaugh, K. & Westbrook, J. (1996). The mmCIF dictionary: community review and final approval. Acta Cryst. A52 (Suppl.), C575.Google Scholar
First citation Freer, S. T. & Stewart, J. (1979). Computer programming for protein crystallographic applications, University of California at San Diego, 28–29 November 1978. J. Appl. Cryst. 12, 426–427.Google Scholar
First citation Greer, D. S. (2000). Macromolecular structure RFP response, revised submission. http://openmms.sdsc.edu/OpenMMS-1.5.1_Std/openmms/docs/specs/lifesci_00–11-01.pdf . Google Scholar
First citation Hall, S. R. (1991). The STAR file: a new format for electronic data transfer and archiving. J. Chem. Inf. Comput. Sci. 31, 326–333.Google Scholar
First citation Hall, S. R., Allen, F. H. & Brown, I. D. (1991). The Crystallographic Information File (CIF): a new standard archive file for crystallography. Acta Cryst. A47, 655–685.Google Scholar
First citation Hall, S. R. & Cook, A. P. F. (1995). STAR dictionary definition language: initial specification. J. Chem. Inf. Comput. Sci. 35, 819–825.Google Scholar
First citation Hall, S. R. & Spadaccini, N. (1994). The STAR File: detailed specifications. J. Chem. Inf. Comput. Sci. 34, 505–508.Google Scholar
First citation International Tables for Crystallography (2005). Volume A, Space-group symmetry, edited by Th. Hahn. Heidelberg: Springer.Google Scholar
First citation ISO (1986). ISO 8879. Information processing – Text and office systems – Standard Generalized Markup Language (SGML). Geneva: International Organization for Standardization.Google Scholar
First citation ISO (2002). ISO/IEC 8824–1. Abstract Syntax Notation One (ASN.1). Specification of basic notation. Geneva: International Organization for Standardization.Google Scholar
First citation Kahle, B. (1991). An information system for corporate users: wide area information servers. Thinking Machines technical report TMC-199. See also Online, 15, 56–60.Google Scholar
First citation McDonald, R. S. & Wilks, P. A. (1988). JCAMP-DX: a standard form for exchange of infrared spectra in computer readable form. Appl. Spectrosc. 42, 151–162.Google Scholar
First citation Murray-Rust, P. & Rzepa, H. S. (1999). Chemical markup language and XML. Part I. Basic principles. J. Chem. Inf. Comput. Sci. 39, 928–942.Google Scholar
First citation Murray-Rust, P. & Rzepa, H. S. (2001). Chemical markup, XML and the world-wide web. Part II: Information objects and the CMLDOM. J. Chem. Inf. Comput. Sci. 41, 1113–1123.Google Scholar
First citation Spadaccini, N., Hall, S. R. & Castleden, I. R. (2000). Relational expressions in STAR File dictionaries. J. Chem. Inf. Comput. Sci. 40, 1289–1301.Google Scholar
First citation Stewart, J. (1963). XRAY63 Crystal Structure Calculations System. Report TR-64–6 (NSG-398). Computer Science Center, University of Maryland, USA, and Research Computer Center, University of Washington, USA.Google Scholar
First citation Ulrich, E. L. et al. (1998). XVIIth Intl Conf. Magn. Res. Biol. Systems. Tokyo, Japan.Google Scholar
First citation W3C (2001). Extensible Markup Language (XML). http://www.w3c.org/XML/ . Google Scholar