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,
p.
[ doi:10.1107/97809553602060000730 ]
...
Save frames
Allen, F. H.,
Barnard, J. M.,
Cook, A. P. F. and
Hall, S. R.,
International Tables for Crystallography
(2006).
Vol. G,
Section 2.4.4.3,
p.
[ doi:10.1107/97809553602060000730 ]
3D conformational representations describing cyclohexane, is illustrated in Fig.
2.4.4.3 . Within the STAR syntax, save-frame references ($ framecode) may occur before or after the save-frame definition within any data block. MIF ...
Looped lists
Allen, F. H.,
Barnard, J. M.,
Cook, A. P. F. and
Hall, S. R.,
International Tables for Crystallography
(2006).
Vol. G,
Section 2.4.4.2,
p.
[ doi:10.1107/97809553602060000730 ]
in a looped list. The atoms and bonds of thiabutyrolactone in MIF format are shown in Fig.
2.4.4.1 . The description of each data item in this example is given in Chapter 4.8, although the meanings are clear from the self-descriptive data names ...
MIF concepts and syntax
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,
p.
[ doi:10.1107/97809553602060000730 ]
655–685. Google Scholar
Hall, S. R. &
Cook, A.
P.
F. (1995). STAR Dictionary Definition Language: initial specification. J. Chem. Inf. Comput. Sci. 35, 819–825. Google Scholar
Hall, S. R. & Spadaccini, N. (1994 ...
Data blocks
Allen, F. H.,
Barnard, J. M.,
Cook, A. P. F. and
Hall, S. R.,
International Tables for Crystallography
(2006).
Vol. G,
Section 2.4.4.4,
p.
[ doi:10.1107/97809553602060000730 ]
or a global_ statement (see below). The blockcode string identifies the block within the file. Examples of data blocks are shown in Figs.
2.4.4.2,
2.4.4.3 and 2.4.6.1 . Each data block in a file must have a unique blockcode ...
Global blocks
Allen, F. H.,
Barnard, J. M.,
Cook, A. P. F. and
Hall, S. R.,
International Tables for Crystallography
(2006).
Vol. G,
Section 2.4.4.5,
p.
[ doi:10.1107/97809553602060000730 ]
...
