H. D. Flack / L. Párkányi / K. Simon (eds.)

Crystallographic Computing 6

A Window on Modern Crystallography
Herausgeber: Flack, H D; Simon, K.; Párkányi, L.

• Gebundenes Buch

Produktbeschreibung

This sixth volume of the Crystallographic Computing series explores the application of windowing techniques and object-oriented programming to crystallography. Featuring presentations given at the renowned Vesprem 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.

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Produktdetails

• Verlag: Hurst & Co.
• Seitenzahl: 320
• Erscheinungstermin: 27. Januar 1994
• Englisch
• Abmessung: 229mm x 152mm x 22mm
• Gewicht: 644g
• ISBN-13: 9780198557883
• ISBN-10: 0198557884
• Artikelnr.: 21464068

Inhaltsangabe

* 1: M. Gomm: Single-crystal diffractometry - hardware and software
* 2: A. Messerschmidt: Macromolecular data processing for area
detectors with program system MADNES
* 3: C. Gilmore: Maximum entropy, likelihood ranking and the phase
problem in single crystal, powder diffraction and electron microscopy
* 4: C.E. Kyriakidis and R. Peschar: On direct-methods phase
information from differences between isomorphous structure factors
* 5: C. Giacovazzo: Direct methods for powder diffraction data
* 6: Ch. Baerlocher: Powder diffraction: data collection, refinement,
results
* 7: G.M. Sheldrick: The solution of large small-molecule structures
and small macromolecules
* 8: G.M. Sheldrick: Refinement of large small-molecule structures and
small macromolecules
* 9: A.L. Spek: Treating disorder and solvent molecules in refinement
* 10: L. Kutschabsky: Order-disorder phenomena and biiologically active
compounds
* 11: T. Koritsánszky: Charge density determination by X-ray
diffraction
* 12: Z. Böcskei: Practical aspects of isomorphous replacement
* 13: W.A. Paciorek: Challenges in incommensurate and quasi-crystals
* 14: P.E. Bourne: User interface management systems (UIMS) for
crystallography
* 15: P. Murray-Rust and J. Zelinka: New approaches to crystallographic
software
* 16: D.J. Watkin: CRYSTALS - a programmable program
* 17: B. McMahon: Standardization - portability of crystallographic
data
* 18: P.E. Bourne: Advances in computing for macromolecular
crystallography
* 19: P.R. Edgington: The Cambridge structural database: current
developments and future directions