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Crystal cell parameters and measurement conditions
Fitzgerald, P. M. D., Westbrook, J. D., Bourne, P. E., McMahon, B., Watenpaugh, K. D. and Berman, H. M.  International Tables for Crystallography (2006). Vol. G, Section 3.6.5.1, pp. 148-149 [ doi:10.1107/97809553602060000738 ]
... MEASUREMENT categories (Fitzgerald et al., 1990). References Fitzgerald, P. M. D., McKeever, B. M., VanMiddlesworth, J. F., Springer, J. P., Heimbach, J. C., Leu ...
     [more results from section 3.6.5 in volume G]

Content of the macromolecular CIF dictionary
Fitzgerald, P. M. D., Westbrook, J. D., Bourne, P. E., McMahon, B., Watenpaugh, K. D. and Berman, H. M.  International Tables for Crystallography (2006). Vol. G, Section 3.6.4, pp. 147-148 [ doi:10.1107/97809553602060000738 ]
... IUCR Journal housekeeping and the contents of a published article (e) File metadata 3.6.9.1 AUDIT Dictionary maintenance and identification 3.6.9.2 ENTRY ...

Overview of the mmCIF data model
Fitzgerald, P. M. D., Westbrook, J. D., Bourne, P. E., McMahon, B., Watenpaugh, K. D. and Berman, H. M.  International Tables for Crystallography (2006). Vol. G, Section 3.6.3, pp. 145-147 [ doi:10.1107/97809553602060000738 ]
Overview of the mmCIF data model 3.6.3. Overview of the mmCIF data model The solution and refinement of a macromolecular structure is complex and often difficult, as there are a large number of atoms in a typical macromolecule, the molecular conformation can be complex and it can be difficult to model ...

Considerations underlying the design of the dictionary
Fitzgerald, P. M. D., Westbrook, J. D., Bourne, P. E., McMahon, B., Watenpaugh, K. D. and Berman, H. M.  International Tables for Crystallography (2006). Vol. G, Section 3.6.2, pp. 144-145 [ doi:10.1107/97809553602060000738 ]
... be possible to represent atom positions using either orthogonal ångström or fractional coordinates. (v) Data items should be provided for ...

Introduction
Fitzgerald, P. M. D., Westbrook, J. D., Bourne, P. E., McMahon, B., Watenpaugh, K. D. and Berman, H. M.  International Tables for Crystallography (2006). Vol. G, Section 3.6.1, p. 144 [ doi:10.1107/97809553602060000738 ]
... CIF categories are also summarized. References Bourne, P., Berman, H. M., McMahon, B., Watenpaugh, K. D., Westbrook, J. D. & Fitzgerald, P. M. D. (1997). Macromolecular Crystallographic Information File. Methods Enzymol. ...

Macromolecular dictionary (mmCIF)
Fitzgerald, P. M. D., Westbrook, J. D., Bourne, P. E., McMahon, B., Watenpaugh, K. D. and Berman, H. M.  International Tables for Crystallography (2006). Vol. G, ch. 4.5, pp. 295-443 [ doi:10.1107/97809553602060000745 ]
... group.IT_number _space_group.crystal_system _space_group.id _space_group.name_H-M_alt _space_group.name_Hall space_group_symop _space_group_symop.id ... Tables_number _symmetry.cell_setting _symmetry.entry_id _symmetry.space_group_name_H-M _symmetry.space_group_name_Hall symmetry_equiv _symmetry_equiv.id _symmetry_equiv.pos ...

Classification and use of macromolecular data
Fitzgerald, P. M. D., Westbrook, J. D., Bourne, P. E., McMahon, B., Watenpaugh, K. D. and Berman, H. M.  International Tables for Crystallography (2006). Vol. G, ch. 3.6, pp. 144-198 [ doi:10.1107/97809553602060000738 ]
... be possible to represent atom positions using either orthogonal ångström or fractional coordinates. (v) Data items should be provided for ... IUCR Journal housekeeping and the contents of a published article (e) File metadata 3.6.9.1 AUDIT Dictionary maintenance and identification 3.6.9.2 ENTRY ... DIFFRN (b) DIFFRN_ATTENUATOR (c) DIFFRN_DETECTOR (d) DIFFRN_MEASUREMENT (e) DIFFRN_ORIENT_MATRIX (f) DIFFRN_ORIENT_REFLN (g) DIFFRN_ ...

Classification and use of macromolecular data
Fitzgerald, P. M. D., Westbrook, J. D., Bourne, P. E., McMahon, B., Watenpaugh, K. D. and Berman, H. M.  International Tables for Crystallography (2006). Vol. G, ch. 3.6, pp. 144-198 [ doi:10.1107/97809553602060000738 ]
... be downloaded from http://sw-tools.pdb.org/ . References Berman, H. M. (2001). Chair. Report of the task force on the ... USA. http://www.nigms.nih.gov/news/reports/airlie_tasks.html . Berman, H. M., Henrick, K. & Nakamura, H. (2003). Announcing the worldwide Protein Data Bank. Nature Struct. Biol. 10, 980. Berman, H. M., Westbrook, J., Feng, Z., Gilliland, G., Bhat, T. N., ...

Classification and use of macromolecular data
Fitzgerald, P. M. D., Westbrook, J. D., Bourne, P. E., McMahon, B., Watenpaugh, K. D. and Berman, H. M.  International Tables for Crystallography (2006). Vol. G, ch. 3.6, pp. 144-198 [ doi:10.1107/97809553602060000738 ]
... ATOM_SITES_ALT_ENS (§3.6.7.1.4(b)) DIFFRN_ORIENT_MATRIX (§3.6.5.2(e)) REFINE group (§3.6.6.2) ATOM_SITES_ALT_GEN (§3.6.7.1.4(c)) DIFFRN ... NCS (§3.6.6.2.3(b)) AUDIT_CONFORM (§3.6.9.1(c)) DIFFRN_SOURCE (§3.6.5.2(m)) REFINE_LS_CLASS (§3.6.2.2.3(e)) AUDIT_CONTACT_AUTHOR (§3.6.9.1(d)) DIFFRN_STANDARD_REFLN (§3.6.5.2( ...

Other category classifications
Fitzgerald, P. M. D., Westbrook, J. D., Bourne, P. E., McMahon, B., Watenpaugh, K. D. and Berman, H. M.  International Tables for Crystallography (2006). Vol. G, Section 3.6.9.3, p. 195 [ doi:10.1107/97809553602060000738 ]
Other category classifications 3.6.9.3. Other category classifications The following categories, already described elsewhere in this chapter, are included in other formal category groups: Compliance with earlier dictionaries COMPLIANCE group DATABASE Compatibility with PDB format files PDB group DATABASE_PDB_CAVEAT DATABASE_PDB_MATRIX DATABASE_PDB_REMARK DATABASE_PDB_REV DATABASE_PDB ...
     [more results from section 3.6.9 in volume G]

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