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Thirty-five international authorities offer comprehensive review of current computing techniques in crystal-structure analysis. The volume contains sections on data measurement and processing, solution techniques, refinement techniques, accurate electron density analysis, computer software and hardware data-base techniques, and computer graphics. There are also contributions on powder methods and electron diffraction and microscopy.
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
This collection of papers originally presented in 1987 at The International School on Crystallographic Computing is largely concerned with methods of single-crystal structure determination, with an emphasis on direct methods and on methods applicable to protein crystallography. In addition there are contributions on fiber diffraction and electron diffraction techniques. Programming methods for assessing data bases are presented as are introductions to symbolic programming and programming for array processors.
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.
I U CR World List of Crystallographic Computer Programs.
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.
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.
Modern structural applications of crystallography make extensive use of statistical methods, in particular the probability density function (pdf) of the magnitude of the structure factor. Similarly, direct methods of phase determination have been responsible for much of the success of crystallography - methods based on properties of joint pdfs. This monograph, from two authorities in the field of structure factor statics, presents a survey of techniques and theories in this field of research in a self-contained and consistent way, with an emphasis on the probabilistic principles involved.