Molecular Information File dictionary (MIF)
Allen, F. H.,
Barnard, J. M.,
Cook, A. P. F. and
Hall, S. R.,
International Tables for Crystallography
(2006).
Vol. G,
ch. 4.8,
pp. 467-470
[ doi:10.1107/97809553602060000748 ]
Specification of the Molecular Information File (MIF)
Allen, F. H.,
Barnard, J. M.,
Cook, A. P. F. and
Hall, S. R.,
International Tables for Crystallography
(2006).
Vol. G,
ch. 2.4,
pp. 44-52
[ doi:10.1107/97809553602060000730 ]
Structural Database: a quarter of a million crystal structures and rising. Acta Cryst. B 58, 380–388. Google Scholar
Allen, F. H.,
Barnard,
J.
M., Cook, A. P. F. & Hall, S. R. (1995). The Molecular Information File (MIF): core ...
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 ]
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 ]
|
Stereochemical data for menthyl- p -toluenesulfinate.
References
Barnard,
J.
M., Cook, A. P. F. & Rohde, B. (1990). Beyond the structure diagram, edited by D. Bawden & E. Mitchell, pp. 29–41. Chichester: Ellis ...
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 ]
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 ]
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
Barnard,
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M. & Cook, A. P. F. (1992). The Molecular Information ...
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 ]
