Overview

A window on modern crystallography presents contributions given at the Vesprém School on Crystallographic Computing June 1992, Balatonfúred, Hungary. Nineteen review articles cover subjects of topical interest in the state of crystallographic software. The application to crystallography of windowing techniques and object-oriented programming is treated for the first time in this series. Recent advances in powder diffraction techniques, both structure and solution, and refinement are discussed. The tricky problem of dealing with disorder in the interpretation of diffraction data is given clear coverage. Further, introductory texts explaining new features in program systems are included, and in an age of ever-increasing quantities of data, the rationale behind the standardization and portability of crystallographcic data through the use of CIF files is explained.

Full Product Details

Author:   H. D. Flack (Concepteur en Informatique, Laboratoire de Cristallographie, Concepteur en Informatique, Laboratoire de Cristallographie, Université de Genève) ,  L. Párkányi (Senior Research Fellow, Senior Research Fellow, Central Research Institute for Chemistry, Budapest) ,  K. Simon (Head of Research Analytical Laboratories, Head of Research Analytical Laboratories, Chinoin Pharmaceutical and Chemical, Budapest)
Publisher:   Oxford University Press
Imprint:   Oxford University Press
Volume:   6
Dimensions:   Width: 16.00cm , Height: 2.20cm , Length: 24.10cm
Weight:   0.653kg
ISBN:  

9780198557883

ISBN 10:   0198557884
Pages:   320
Publication Date:   09 December 1993
Audience:   Professional and scholarly ,  Professional & Vocational
Format:   Hardback
Publisher's Status:   Active
Availability:   Manufactured on demand  
We will order this item for you from a manufactured on demand supplier.

Table of Contents

1. Single-crystal diffractometry - hardware and software ; 2. Macromolecular data processing for area detectors with program system MADNES ; 3. Maximum entropy, likelihood ranking and the phase problem in single crystal, powder diffraction and electron microscopy ; 4. On direct-methods phase information from differences between isomorphous structure factors ; 5. Direct methods for powder diffraction data ; 6. Powder diffraction: data collection, refinement, results ; 7. The solution of large small-molecule structures and small macromolecules ; 8. Refinement of large small-molecule structures and small macromolecules ; 9. Treating disorder and solvent molecules in refinement ; 10. Order-disorder phenomena and biiologically active compounds ; 11. Charge density determination by X-ray diffraction ; 12. Practical aspects of isomorphous replacement ; 13. Challenges in incommensurate and quasi-crystals ; 14. User interface management systems (UIMS) for crystallography ; 15. New approaches to crystallographic software ; 16. CRYSTALS - a programmable program ; 17. Standardization - portability of crystallographic data ; 18. Advances in computing for macromolecular crystallography ; 19. The Cambridge structural database: current developments and future directions

Reviews

`it is a worthy addition to the library of any group that is actively involved in crystallographic computing' Edward Prince, Acta Crystallographica, 1995 `there is something for almost everyone, and the book has the advantage over a collection of journal articles that it is not a mixture of articles on completely different subjects; it is also less restricted by space constraints than a journal ... this book contains useful information, and it is a worthy addition to the library of any group that is actively involved in crystallographic computing' Acta. Cryst. (1995).

it is a worthy addition to the library of any group that is actively involved in crystallographic computing Edward Prince, Acta Crystallographica, 1995 there is something for almost everyone, and the book has the advantage over a collection of journal articles that it is not a mixture of articles on completely different subjects; it is also less restricted by space constraints than a journal ... this book contains useful information, and it is a worthy addition to the library of any group that is actively involved in crystallographic computing Acta. Cryst. (1995).

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