IUCr Crystallographic Symposia – serie

Structural crystallographic studies can determine not only the full stereochemistry of chemical species but also details of their arrangement in the crystal. Such geometrical data provide an essentIAl basis for the interpretation of chemical, physical and biological properties of chemical species.This volume contains key papers presented at the seventh symposium on organic crystal chemistry at Poznań in Poland. Among the themes discussed were factors influencing molecular conformation and polymorphism, chemical and biological activity, intermolecular interactions, crystal chemistry of polymers and molecular modelling.

The International School on Crystallographic Computing was held at the Bischenberg Congress Center, close to Strasbourg, in 1990. This was the twelfth such school organized since 1960 under the auspices of the IUCR Commission of crystallographic computing. The school was a satellite meeting to the XVth Congress of the International Union of Crystallography in Bordeaux, at which lecturers and tutors gave conferences and demonstrated their programs.In selecting the contents of the school, the program committee took into account the increasing emphasis on the study of macromolecules of biological interests, a natural progression of the clear success of crystallographic methodology in small molecule crystallography. Themes covered include synchrotron data collection, the potentiality of imaging plate technology coupled with efficient software, maximum entropy phasing methods, refinement using molecular dynamics, and map interpretation using structural databases.This is the latest volume in a series of highly regarded volumes based on lectures given at the International School of Computational Crystallography. Here, international contributors have collaborated to provide a unique record of the state-of-the-art in this important area of crystallography.

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.