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Crystallographic Computing 5 : From Chemistry to Biology - D. Moras

Crystallographic Computing 5

From Chemistry to Biology

By: D. Moras (Editor), A. D. Podjarny (Editor), J. C. Thierry (Editor)

Hardcover Published: 6th February 1992
ISBN: 9780198553847
Number Of Pages: 494

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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.

'the written contributions are carefully crafted to offer the reader new insight, a deeper understanding or a broader appreciation of the import of the subject ... I recommend the book as a solid contribution to the crystallographic literature and as of special interest to macromolecular crystallographers. I also compliment the organizers and editors for the work they did to make both the school and the book successful.' Howard M. Einspahr, Acta Cryst. (1993) `... the book is a worthy addition to the library of any group that is actively involved in crystallographic computing.' Cryst. Res. Technol. 30 July 1995

DATA COLLECTION AND ANALYSIS: J.R. Helliwell: The recording and analysis of data from macromolecular crystals; I.A. Andersson, I.J. Clifton, V.Fülöp, & J. Hadju: High speed, high resolution data collection on spinach Rubisco using a Weissenberg camera at the Photon factory; J. Hajdu, S.C. Almo, G.K. Farber, J.K. Prater, G.A. Petsko, S. Wakatsuki, I.J. Clifton, & V. FülÖp: On the limitations of the Laue method when applied to crystals of macromolecules; A.G.W. Leslie: Molecular data processing; B. Schierbeek: New developments on the Enraf-Nonius FAST detector; D. Schwarzenbach: Statistical descriptors; S.R. Hall: CIF standard data; PROGRAM PACKAGES: D.J. Watkin: Crystals; K.D. Watenpaugh, D.R. Holland, D.M. Collins, & J.M. Stewart: Macromolecular crystallographic computing designed around the XTAL system; W. Steigemann: Recent advances in the PROTEIN program system for the X-ray structure analysis of biological macromolecules; B. Frenz: Improved productivity through crystallographic packages; P.R. Evans: The CCP4 package program; SOLVING THE PHASE PROBLEM: Heavy Atoms: G.M. Sheldrick: Tutorial on automated Patterson interpretation to find heavy atoms; R.J. Read: Dealing with imperfect isomorphism in multiple isomorphous replacement; Anomalous Dispersion: E. Fanchon & W.A. Hendrickson: The MAD phasing method in macromolecular crystallography: general principles and the problem of the anisotrophy of anomalous scattering; H. Krabbendam: The phase problem in protein crystallography: integration of multiwavelength anomalous diffraction and direct methods; J. Karle: Phasing by anomalous scattering: theoretical aspects; Direct Methods: M. Roth: Phasing at low resolution; C. Giacovazzo: About the integration of direct and Patterson methods; Maximum Entropy: G. Bricogne: Maximum entropy as a common statistical basis for all phase determination methods; C.J. Gilmore & G. Bricogne: Maximum entropy, likelihood, and the phase problem in single crystal and powder diffraction; D.M. Collins & E. Prince: Exponential density: exact fitting of structure moduli by entropy maximization; J. Navaza: Accurate solutions of the maximum entropy equations. Their impact on the foundations of direct methods; H.A. Hauptman: A minimal principle in the phase problem; Molecular Replacement: P.M.D. Fitzgerald: Molecular replacement; P.M. Alzari & J. Navaza: On the use of the fast rotation function; Density Modification: A.D. Podjarny & B. Rees: Density modification: theory and practice; K. Cowtan: Sayre's equation and histogram methods for phase refinement and extension of protein structures; REFINEMENT: J. Sussman: Introduction to macromolecular refinement; A.T. Brünger: A unified approach to crystallographic refinement and molecular replacement; P. Gros: Time-averaged crystallography restrained molecular dynamics; T.N. Bhat: X-ray structure refinement with X-PLOR; STRUCTURE ANALYSIS, MODELLING, AND DATABASES: P. Murray-Rust: A protein structure database; P.R. Sibbald: Computational protein sequence analysis as an aid to solving protein structure; E. Westhof, L. Jaeger, P. Dumas, & F. Michel: Modelling the architecture of large RNA molecules: a three-dimensional model for group I ribozymes; Poster Abstracts.

ISBN: 9780198553847
ISBN-10: 0198553846
Series: International Union of Crystallography Crystallographic Symposia
Audience: Professional
Format: Hardcover
Language: English
Number Of Pages: 494
Published: 6th February 1992
Publisher: Oxford University Press
Country of Publication: GB
Dimensions (cm): 24.1 x 15.9  x 3.4
Weight (kg): 1.0

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