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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 ]
... attach_all _atom_attach_ring _atom_attach_nh _atom_attach_h _atom_charge _atom_cip _atom_coord_x _atom_coord_y ...

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 ]
... chemical structures. Such information, now available for some 400000 compounds (Allen & Glusker, 2002) is, of course, vitally important in chemistry and ... universal exchange format for chemistry, the Molecular Information File (MIF: Allen et al., 1995), that arose from this coalescence of concepts ... accommodated in the MIF approach. However, the initial MIF implementation (Allen et al., 1995), summarized in this chapter, treated only ...

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, p. 51 [ doi:10.1107/97809553602060000730 ]
Conclusion 2.4.10. Conclusion The present proliferation of formats for chemical applications tends to inhibit and complicate the exchange and use of chemical data. Many widely used chemical formats have a finite half-life because they are inflexible and not readily extensible. Others offer universality [e.g. Abstract Syntax Notation 1 (ISO, 2002a ...

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 query applications 2.4.9. MIF query applications A MIF is suitable for interrogating databases because data items are permitted to have a single value, or a `sequence' of alternative values. This latter option is designated by the dictionary attribute _type_conditions which, for MIF applications, is set to `sequenced data' (via ...

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 ]
... menthyl-p-toluenesulfinate. References Barnard, J. M., Cook, A. P. F. & Rohde, B. (1990). Beyond the structure diagram, edited by ...

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, p. 48 [ doi:10.1107/97809553602060000730 ]
... of the template atoms is accomplished using the _atom_attach_h and _atom_attach_nh items, respectively. The external values override ... which gives the values of _atom_attach_nh, _atom_attach_h and _atom_charge for the modified sites in the zwitterionic ...

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, p. 48 [ doi:10.1107/97809553602060000730 ]
... convention is that employed in the Cambridge Structural Database System (Allen et al., 1991; Allen, 2002) to categorize bond types encountered in both organic and ... for toluene stored in the same MIF data block. References Allen, F. H. (2002). The Cambridge Structural Database: a ...

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 ]
... contains the items _atom_id, _atom_type and _atom_attach_h, which identify the chemical properties of the atoms, plus the ... structure in Cartesian coordinates [these are taken from diffraction results (Allen & Rogers, 1970)]. The item _atom_label is also used ... of the icon if specified by _display_conn_colour. References Allen, F. H. & Rogers, D. (1970). X-ray studies ...

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. 47 [ doi:10.1107/97809553602060000730 ]
Global blocks 2.4.4.5. Global blocks A global block is similar to a data block except that it is opened with a global_ statement and contains data that are common or `default' to all subsequent data blocks in a file. Global data items remain active until re-specified in a subsequent data ...
     [more results from section 2.4.4 in volume G]

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, p. 45 [ doi:10.1107/97809553602060000730 ]
... accommodated in the MIF approach. However, the initial MIF implementation (Allen et al., 1995), summarized in this chapter, treated only the ... feature that will be discussed later in this chapter. References Allen, F. H., Barnard, J. M., Cook, A. P. F. & Hall, ...

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