Crystallographic Computing 6 A Window on Modern Crystallography [Hardcover]

This sixth volume of theCrystallographic Computingseries explores the application of windowing techniques and object-oriented programming to crystallography. Featuring presentations given at the renowned Vespr?m School on Crystallographic Computing, the book covers a wide range of subjects regarding the state of crystallographic software, such as recent advances in powder diffraction techniques, structure and solution, and refinement. The tricky problem of dealing with disorder in the interpretation of diffraction data is given clear coverage. In addition, introductory sections 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 crystallographic data through the use of CIF files is cogently defined. The book will appeal to crystallography teachers, students, and researchers interested in the latest computer applications in their field.

1. Single-crystal diffractometry - hardware and software,M. Gomm
2. Macromolecular data processing for area detectors with program system MADNES,A. Messerschmidt
3. Maximum entropy, likelihood ranking and the phase problem in single crystal, powder diffraction and electron microscopy,C. Gilmore
4. On direct-methods phase information from differences between isomorphous structure factors,C.E. Kyriakidis and R. Peschar
5. Direct methods for powder diffraction data,C. Giacovazzo
6. Powder diffraction: data collection, refinement, results,Ch. Baerlocher
7. The solution of large small-molecule structures and small macromolecules,G.M. Sheldrick
8. Refinement of large small-molecule structures and small macromolecules,G.M. Sheldrick
9. Treating disorder and solvent molecules in refinement,A.L. Spek
10. Order-disorder phenomena and biologically active compounds,L. Kutschabsky
11. Charge delSd