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9781402031380

International Tables for Crystallography, Volume G, Definition and Exchange of Crystallographic Data,

by ;
  • ISBN13:

    9781402031380

  • ISBN10:

    1402031386

  • Edition: CD
  • Format: Hardcover
  • Copyright: 2005-10-01
  • Publisher: Wiley

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Supplemental Materials

What is included with this book?

Summary

Volume G will contain a complete specification of the crystallographic information exchange mechanism sponsored and supported by the IUCr. It will include the latest version of the CIF Core Dictionary (originally published in Acta Cryst. (1991), A47, 655-685), together with supplementary dictionaries for use in powder, modulated structures, electron density and macromolecular structure determination work. Full documentation on the file structure will be included, as well as extensive commentary on the definitions and the use of the file in data archival and publishing. Documentation of software libraries will be included for the use of software developers. An accompanying CD-ROM will contain the dictionaries in machine-readable form and a collection of libraries and utility programs

Table of Contents

Historical Introduction: Genesis of the Crystallographic Information File
Concepts And Specifications: Specification of the STAR File
Specification of the Crystallographic Information File
Specification of the Crystallographic Binary File (CBF/imgCIF)
Specification of the Molecular Information File
Specification of the core CIF dictionary definition language (DDL1)
Specification of a relational dictionary definition language (DDL2)
CIF Data Definition And Classification: General considerations when defining a CIF data item
Classification and use of core data
Classification and use of powder diffraction data
Classification and use of modulated and composite structures data
Classification and use of electron density data
Classification and use of macromolecular data
Classification and use of image data
Classification and use of symmetry data
Data Dictionaries
Core dictionary
Powder dictionary
Modulated and composite structures dictionary
Electron density dictionary
Macromolecular dictionary.Image dictionary
Symmetry dictionary.Molecular Information File dictionary
Molecular Information File dictionary
DDL2 dictionary
Applications: General considerations in programming CIF applications
STAR File utilities
Syntactic utilities for CIF: CIFtbx: Fortran tools for manipulating CIFs
The use OF mmCIF architecture for PDB data management
CBFlib: an ANSI C library for manipulating image data
Small-molecule crystal structure publication using CIF
Subject index
Index of data names
Table of Contents provided by Publisher. All Rights Reserved.

Supplemental Materials

What is included with this book?

The New copy of this book will include any supplemental materials advertised. Please check the title of the book to determine if it should include any access cards, study guides, lab manuals, CDs, etc.

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