Experimental measurements on the crystal
Hall, S. R.,
Fitzgerald, P. M. D. and
McMahon, B.,
International Tables for Crystallography
(2006).
Vol. G,
Section 3.2.2.3,
pp. 97-98
[ doi:10.1107/97809553602060000734 ]
[
more
results from section 3.2.2 in volume G]
File metadata
Hall, S. R.,
Fitzgerald, P. M. D. and
McMahon, B.,
International Tables for Crystallography
(2006).
Vol. G,
Section 3.2.6,
pp. 114-116
[ doi:10.1107/97809553602060000734 ]
Core dictionary (coreCIF)
Hall, S. R.,
Allen, F. H. and
Brown, I. D.,
International Tables for Crystallography
(2006).
Vol. G,
ch. 4.1,
pp. 210-257
[ doi:10.1107/97809553602060000741 ]
Specification of a relational dictionary definition language (DDL2)
Westbrook, J. D.,
Berman, H. M. and
Hall, S. R.,
International Tables for Crystallography
(2006).
Vol. G,
ch. 2.6,
pp. 61-70
[ doi:10.1107/97809553602060000732 ]
References
Allen, F. H., Barnard, J. M., Cook, A. F. P. &
Hall, S.
R. (1995). The Molecular Information File (MIF): core specifications of a new standard format for chemical data. J. Chem. Inf. Comput. Sci. 35, 412–427. Google ...
DATABLOCK_METHODS
Westbrook, J. D.,
Berman, H. M. and
Hall, S. R.,
International Tables for Crystallography
(2006).
Vol. G,
Section 2.6.6.4.2,
pp. 70-70
[ doi:10.1107/97809553602060000732 ]
[
more
results from section 2.6.6 in volume G]
Overview of the elements of DDL2
Westbrook, J. D.,
Berman, H. M. and
Hall, S. R.,
International Tables for Crystallography
(2006).
Vol. G,
Section 2.6.3,
pp. 62-62
[ doi:10.1107/97809553602060000732 ]
Introduction
Westbrook, J. D.,
Berman, H. M. and
Hall, S. R.,
International Tables for Crystallography
(2006).
Vol. G,
Section 2.6.1,
pp. 61-61
[ doi:10.1107/97809553602060000732 ]
repository of three-dimensional macromolecular structure data (see Chapter 5.5).
References
Hall S.
R. & Spadaccini, N. (1994). The STAR File: detailed specifications. J. Chem. Inf. Comput. Sci. 34, 505–508. Google ...
DDL2 dictionary applications
Westbrook, J. D.,
Berman, H. M. and
Hall, S. R.,
International Tables for Crystallography
(2006).
Vol. G,
Section 2.6.5,
pp. 63-66
[ doi:10.1107/97809553602060000732 ]
DDL2 organization
Westbrook, J. D.,
Berman, H. M. and
Hall, S. R.,
International Tables for Crystallography
(2006).
Vol. G,
Section 2.6.4,
pp. 63-63
[ doi:10.1107/97809553602060000732 ]
The DDL2 presentation
Westbrook, J. D.,
Berman, H. M. and
Hall, S. R.,
International Tables for Crystallography
(2006).
Vol. G,
Section 2.6.2,
pp. 61-61
[ doi:10.1107/97809553602060000732 ]
