Books and articles

In Brief

ORTEP-III: Oak Ridge Thermal Ellipsoid Plot Program for Crystal Illustrations, by M. N. Burnett and C. K. Johnson (ORNL, 1996, 169 pages, $5.00 paperbound) is technical report number ORNL-6895, available for a total shipping and handling charge of $5.00 (US) from Polycrystal Book Service. Information on printing a copy directly from the World Wide Web is available at http://www.ornl.gov/ortep/ortep.htmp, along with information about obtaining the updated program.

Physics Over Easy: Breakfasts with Beth and Physics by L. V. Azaroff (World, 1996, 256 pages, $28 hardbound, $18 paperbound). The evolution of physics over the past four centuries is related in sixteen conversations between a crystallographer and his wife, Beth. By asking questions, she insists on sufficient clarity so as to make difficult subjects understandable. Each 'breakfast' topic can be read in less time than it takes to eat the meal!

Javanische Batik: Methode Symbolik-Geschichteby A. Haake (Schaper, 1984, 128 pages, $30). Many beautiful hand-crafted crystallographic textiles were displayed by Annegret Haake in the Art and Crystallography Exhibit at the IUCr Meeting in Seattle. Her book on Javanese batiks describes (in German) geographical origins, fabrication methods including some chemistry of the Javanese dyes, many photographs and schematics of batik patterns, some crystallographic symmetries encountered, and most importantly to world travelers, how to recognize genuine art distinguished from cheap, mass produced textiles.

Dorothy Hodgkin and Linus Pauling - A Tribute. At the Montreal ACA meeting in 1995, J. Glusker, K. Trueblood and D. Marsh organized a session of talks, reminiscences and tributes to Hodgkin and Pauling. Trueblood has assembled written versions of the talks as well as photos of Hodgkin and Pauling and made them available through Polycrystal Book Service for $5.00 (US).

An introduction to X-ray Crystallography, by M. M. Woolfson (2nd edition, 402 pages, $37.95) is a comprehensive text of fundamental principles and theory. The subject matter ranges from crystallographic principles to diffraction processes to the collection and interpretation of data and structure determination. The text is illustrated by carefully worked examples of problems with solutions at the end of each chapter for undergraduate or graduate students and the serious X-ray crystallographer. This second edition includes FORTRAN listings for 12 computer programs, the source codes for which can be downloaded on the WWW, and sections covering synchrotron radiation, image plates and Laue methods for proteins.

Introduction to X-ray Powder Diffractometry, by R. Jenkins & R.L. Snyder, (John Wiley & Sons Inc. 1996, 403 pages, $79.95) covers basic crystallography, production of X-rays and instrumentation. The chapters on sample preparation, data collection and reduction, phase identification, databases and quantitative phase analysis give a clear and comprehensive guide of how to find out which crystalline phases are in the sample. There are diagrams and flow charts to illustrate the steps in data reduction and phase identification respectively as well as tables which show the effect of errors. Descriptions of what lies behind commercial software for finding peak positions and identifying crystalline phases are helpful. Historical descriptions add interest without obscuring the main focus.

Polycrystalline Thin Films: Structure, Texture, Properties and Applications II edited by H. J. Frost, M. A. Parker, C. A. Ross and Elizabeth A. Holm [ISBN: 1-55899-306-1], Vol. 403, MRS Symposium Proceedings, $65.00 (US). Polycrystalline films have properties that are different from those of a bulk polycrystal and of a single crystal film. The volume focuses on film deposition and processing techniques which allow the fabrication of films with innovative microstructures and technologically relevant properties.

Surface/Interface and Stress Effects in Electronic Materials Nanostructures edited by S. M. Prokes, Robert C. Cammarata, K. L. Wang and A. Christou. Vol. 405 MRS Symposium Proceedings, $73.00 (US). The volume addresses the importance of surface and stresses, particularly in the realm of decreasing structure size, where surface-to-volume ratio increases significantly. Topics include materials characterization, X-ray and strain measurements.

Most items can be ordered from Polycrystal Book Service, PO Box 3439, Dayton, OH 45401, USA. Tel. and FAX: 513 223 9070.

Protein Structure Project

The Protein Structure Project is the topic of a very readable article by Al Tulinsky published in Annual Reports in Medicinal Chemistry (1996), 31, 357-366. When I. Langmuir asked D. Harker what he'd do with a million dollars, Harker said he'd solve the structure of a protein. In 1950, Langmuir finished raising the funds, and Harker organized a group to solve the structure of ribonuclease. This first-hand account describes how technical problems like crystal growth, making and using isomorphous derivatives, diffractometry and computing were solved. Many of the techniques now used in macromolecular and small molecule structure determinations come from the Protein Structure Project. Harker and friends deserve recognition for their efforts and creativity. Tulinsky presents the issues and problems faced by the Project in ways that make them exciting 45 years later. Reprints of the article are available from A. Tulinsky, Dept. of Chem., Michigan State, East Lansing, MI 48824-1322.

Principles of Molecular Modeling

Jan Boeyens is to be congratulated for not only organizing a highly successful and informative symposium on the Fundamental Principles of Molecular Modeling in Johannesburg, South Africa in August 1995 but for getting the proceedingss in print in a timely fashion (Plenum Press, New York). A sampling of chapters includes the following: Can Quantum Mechanics Account for Chemical Structures? (A. Amann); Environmental Factors in Molecular Modelling. J. C. A. Boeyens); Knowledge Acquisition from Crystallographic Databases. (F. H. Allen); Hydrogen Bonding Models: Their Relevance to Molecular Modeling (G. Gilli); Electrostatic Properties from X-ray Diffraction Data (T. Koritsanszky); and Properties of Transition Metal Compounds (P. Comba).