Introduction
Allen, F. H.,
Barnard, J. M.,
Cook, A. P. F. and
Hall, S. R.,
International Tables for Crystallography
(2006).
Vol. G,
Section 2.4.1,
pp. 44-44
[ doi:10.1107/97809553602060000730 ]
Allen,
F.
H., Barnard, J. M., Cook, A. P. F. & 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 Scholar ...
Data identification
Allen, F. H.,
Barnard, J. M.,
Cook, A. P. F. and
Hall, S. R.,
International Tables for Crystallography
(2006).
Vol. G,
Section 2.4.4.1,
pp. 45-45
[ doi:10.1107/97809553602060000730 ]
[
more
results from section 2.4.4 in volume G]
Bonding conventions
Allen, F. H.,
Barnard, J. M.,
Cook, A. P. F. and
Hall, S. R.,
International Tables for Crystallography
(2006).
Vol. G,
Section 2.4.6,
pp. 48-48
[ doi:10.1107/97809553602060000730 ]
conventions for toluene stored in the same MIF data block.
References
Allen,
F.
H. (2002). The Cambridge Structural Database: a quarter of a million crystal structures and rising. Acta Cryst. B 58, 380–388. Google ...
Stereochemistry and geometry at stereogenic centres
Allen, F. H.,
Barnard, J. M.,
Cook, A. P. F. and
Hall, S. R.,
International Tables for Crystallography
(2006).
Vol. G,
Section 2.4.8,
pp. 48-50
[ doi:10.1107/97809553602060000730 ]
Atoms, bonds and molecular representations
Allen, F. H.,
Barnard, J. M.,
Cook, A. P. F. and
Hall, S. R.,
International Tables for Crystallography
(2006).
Vol. G,
Section 2.4.5,
pp. 47-48
[ doi:10.1107/97809553602060000730 ]
be a standard value in the dictionary definition, as is the colour of the icon if specified by _display_conn_colour .
References
Allen,
F.
H. & Rogers, D. (1970). X-ray studies of terpenoid derivatives, Part III. A re ...
Structural templates
Allen, F. H.,
Barnard, J. M.,
Cook, A. P. F. and
Hall, S. R.,
International Tables for Crystallography
(2006).
Vol. G,
Section 2.4.7,
pp. 48-48
[ doi:10.1107/97809553602060000730 ]
Historical background
Allen, F. H.,
Barnard, J. M.,
Cook, A. P. F. and
Hall, S. R.,
International Tables for Crystallography
(2006).
Vol. G,
Section 2.4.2,
pp. 44-45
[ doi:10.1107/97809553602060000730 ]
file formats used by computer programs developed at Molecular Design Limited. J. Chem. Inf. Comput. Sci. 32, 244–255. Google Scholar
Hall, S. R.,
Allen,
F.
H. & Brown, I. D. (1991). The Crystallographic Information File (CIF ...
Conclusion
Allen, F. H.,
Barnard, J. M.,
Cook, A. P. F. and
Hall, S. R.,
International Tables for Crystallography
(2006).
Vol. G,
Section 2.4.10,
pp. 51-51
[ doi:10.1107/97809553602060000730 ]
MIF query applications
Allen, F. H.,
Barnard, J. M.,
Cook, A. P. F. and
Hall, S. R.,
International Tables for Crystallography
(2006).
Vol. G,
Section 2.4.9,
pp. 50-51
[ doi:10.1107/97809553602060000730 ]
MIF objectives
Allen, F. H.,
Barnard, J. M.,
Cook, A. P. F. and
Hall, S. R.,
International Tables for Crystallography
(2006).
Vol. G,
Section 2.4.3,
pp. 45-45
[ doi:10.1107/97809553602060000730 ]
or to substructures with incomplete or variable attributes. As a consequence they are well suited for query definitions in substructure search systems, a feature that will be discussed later in this chapter.
References
Allen,
F.
H., Barnard ...
