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This is the latest entry in a series of volumes based on lectures given at the International School of Computational Crystallography. This is the fifth volume published by OUP. Of particular interest to molecular biologists and computing scientists, this book provides a timely state-of-the-art account of current research.
X-ray crystallography provides a unique opportunity to study the arrangement of atoms in a molecule. This book's modern computer-graphics centered approach facilitates the extrapolation of these valuable observations. A unified treatment of crystal systems, the book explains how atoms are arranged in crystals using the metric matrix. Featuring t
Computing Methods in Crystallography is a collection of lectures delivered at a Summer School, held in Oxford in August 1962. The book presents the underlying mathematics and computing methods in crystallography. The text covers topics on the algebra required for the fundamental operations of transformation of coordinates, interpolation, approximation of trigonometric and exponential functions, solution of linear equations and derivation of latent roots and vectors; methods for calculation of structure factors, least-squares adjustment, and Fourier series evaluation; the theory and practice of intensity scaling and symmetry determination; and methods of direct phase determination. Crystallographers, physicists, and students in allied fields will find the book very useful.
The book presents the basic information needed to understand and to organize the huge amount of known structures of crystalline solids. Its basis is crystallographic group theory (space group theory), with special emphasis on the relations between the symmetry properties of crystals.
The present book provides a clear and comprehensive introduction to the topics of crystallography and diffraction for undergraduate and beginning graduate students and lecturers in physics, chemistry, materials and earth sciences, but will also be of interest to the layperson who wishes toknow about these topics beyond the level given in more general trade science books. The book shows how crystal structures may be built up from simple ideas of atomic packing and co-ordination, and develops the concepts of crystal symmetry, point and space groups by way of two-dimensional examples ofpatterns and tilings. Furthermore, the concept of the reciprocal lattice is explained in simple terms and its importance in an understanding of light, x-ray and electron diffraction shown. Finally, the book covers practical examples of the applications of these techniques, and describes theimportance of diffraction in the performance of optical instruments. For this second edition, the existing material has been thoroughly updated, additional figures and exercises have been supplied and two new chapters added. From reviews on the 1/e: '... This is a timely, well-constructed bookwhich should be seriously considered by every teacher of crystallography and can be recommended to anyone who wants to get to grips with crystallography and diffraction.' P. Goodhew, Journal of Microscopy, June 1998 'IUCr publications have always been outstanding for quality of presentation andexposition and this book maintains that high standard.' J.E. Chisholm, Mineralogical Magazine, February 1998
Innovations in crystallographic instrumentation and the rapid development of methods of diffraction measurement have led to a vast improvement in our ability to determine crystal and molecular structure. This up-to-date resource will allow the reader to harness the potential of X-ray diffraction instruments. Different sources of X-radiation used in crystallography are introduced, including synchrotron radiation, as well as a systematic review of detectors for X-rays and basic instruments for single crystal and powder diffractometry. The principles of the diffraction experiment are discussed and related to their practical application with a comparative description of different scan procedures. Diffraction data collection and processing are also reviewed and methods for error correction are described. This book will provide a useful guide for researchers and students starting in this area of science, as well as skilled crystallographers.
The papers presented in this volume report the striking progress X-ray diffraction has facilitated in the study of structural molecular biology. Coupled with the revival of the Laue method, the advent of high-intensity synchrotron radiation sources has made possible the rapid collection of X-ray crystallography data, thereby allowing protein and virus crystallography to progress from studies of equilibrium structures to time-resolved studies of structures at reaction stages. The book also details the many recent technological developments in physics, chemistry and biochemistry that have been critical for the full exploitation of the synchrotron Laue method in the study of dynamic events in crystals. Necessary future developments are discussed.
In recent years crystallographic techniques have found applications in a wide range of subjects, and these applications in turn have led to exciting developments in the field of crystallography itself. This completely revised text offers a rigorous treatment of the theory and describes experimental applications in many fields: crystal symmetry, crystallographic computing, X-ray diffraction, crystal structure solution, mineral and inorganic crystal chemistry, protein crystallography, crystallography of real crystals, and crystal physics. A set of pedagogical tools on CD-ROM has been added to this new edition.