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International
Tables for Crystallography Volume G Definition and exchange of crystallographic data Edited by J. R. Hester and B. McMahon © International Union of Crystallography 2026 |
International Tables for Crystallography (2026). Vol. G. Early view chapter
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The dictionary developer should have a reasonable understanding of the dictionary file format (Chapter 2.2
) and dictionary definition languages (DDL, Chapter 2.4
; dREL, Chapter 2.5
) that define the dictionary formalism. When contributing to COMCIFS-managed dictionaries, familiarity with the layout style rules (Section 2.4.2.6
) is also desirable.
Chapter 3.1
provides a detailed account of the general principles of dictionary writing, applicable both to local dictionaries and those intended for wider distribution under the aegis of the IUCr or wwPDB. Chapter 4.1
provides more details of integrating dictionaries into the ecosystem of canonical dictionaries managed for the IUCr by COMCIFS. This chapter also provides an overview of existing dictionaries, and how they compose an overall crystallographic ontology.
Chapter 3.3
and its companion dictionary Chapter 4.3
are important for understanding complex structures or systems that are described across several distinct data blocks within the same file.
Developers extending an existing dictionary will of course familiarize themselves with the existing dictionary content in Part 4, as well as the detailed commentary on each to be found in Part 3. Developers of new dictionaries may find useful the sections describing the design decisions behind each existing dictionary, also discussed in the chapters of Part 3.