Crystallographic computing 4 : techniques and new technologies : papers presented at the International School on Crystallographic Computing held at the Flinders University of South Australia, Adelaide, Australia, August 22-29, 1987 /
Crystallographic computing 4 : techniques and new technologies : papers presented at the International School on Crystallographic Computing held at the Flinders University of South Australia, Adelaide, Australia, August 22-29, 1987 /
Crystallographic computing four
edited by N.W. Isaacs and M.R. Taylor
- xvi, 464 pages : illustrations ; 24 cm
- International Union of Crystallography crystallographic symposia ; 3 .
- International Union of Crystallography crystallographic symposia ; 3. .
Includes bibliographies and index
Diffractometer data collection -- Direct methods procedures for the solution of small and medium sized molecules -- The practical use of higher invariants -- Direct methods applications to macromolecules -- Maximum entropy methods in the X-ray phase problem -- Molecular replacement : the method and its problems -- Structural analysis by the method of multiwavelength anomalous diffraction -- Restraints and constraints in least squares refinement of small molecules -- Crystallographic refinement by simulated annealing -- Systematics in intensity data : avoidance, correction, detection, and use -- Error analysis -- Structure determination by X-ray fiber diffraction -- Calculation of electron wavefunctions for electron diffraction -- Electrostatic properties from Bragg diffraction data -- Anatomy of a molecular graphics program -- Molecular graphics : practical applications -- File structures and search strategies for the Cambridge structural database -- Principle of databases for chemistry -- Multivariate analysis of structure data -- The XTAL system : an application primer -- Crystals, for teaching and research -- SHELX -- Programming for interactive structure analysis -- Symbolic programming in crystallography -- Programming supercomputers for crystallographic applications -- Networking for crystallographers / W.T. Robinson / D. Viterbo / H. Schenk / Suzanne Fortier / Gérard Bricogne / E.J. Dodson / Wayne A. Hendrickson / David Watkin / Axel T. Brünger / H.D. Flack / J.S. Rollett / R.P. Millane / P.G. Self / B.M. Craven / Robert K. Stodola ... [and others] / H.L. Carrell / Frank H. Allen and John E. Davies / G. Bergerhoff / Karel Huml and Wolfgang Hummel / Brian Skelton, Sydney Hall and James Stewart / David Watkin / Ward Robinson and George M. Sheldrick / Eric Gabe / Uri Shmueli / R.P. Millane / Philip E. Bourne
0198552823
88001784
Crystallography--Data processing--Congresses
QD906.7.E4 / I55 1988
Includes bibliographies and index
Diffractometer data collection -- Direct methods procedures for the solution of small and medium sized molecules -- The practical use of higher invariants -- Direct methods applications to macromolecules -- Maximum entropy methods in the X-ray phase problem -- Molecular replacement : the method and its problems -- Structural analysis by the method of multiwavelength anomalous diffraction -- Restraints and constraints in least squares refinement of small molecules -- Crystallographic refinement by simulated annealing -- Systematics in intensity data : avoidance, correction, detection, and use -- Error analysis -- Structure determination by X-ray fiber diffraction -- Calculation of electron wavefunctions for electron diffraction -- Electrostatic properties from Bragg diffraction data -- Anatomy of a molecular graphics program -- Molecular graphics : practical applications -- File structures and search strategies for the Cambridge structural database -- Principle of databases for chemistry -- Multivariate analysis of structure data -- The XTAL system : an application primer -- Crystals, for teaching and research -- SHELX -- Programming for interactive structure analysis -- Symbolic programming in crystallography -- Programming supercomputers for crystallographic applications -- Networking for crystallographers / W.T. Robinson / D. Viterbo / H. Schenk / Suzanne Fortier / Gérard Bricogne / E.J. Dodson / Wayne A. Hendrickson / David Watkin / Axel T. Brünger / H.D. Flack / J.S. Rollett / R.P. Millane / P.G. Self / B.M. Craven / Robert K. Stodola ... [and others] / H.L. Carrell / Frank H. Allen and John E. Davies / G. Bergerhoff / Karel Huml and Wolfgang Hummel / Brian Skelton, Sydney Hall and James Stewart / David Watkin / Ward Robinson and George M. Sheldrick / Eric Gabe / Uri Shmueli / R.P. Millane / Philip E. Bourne
0198552823
88001784
Crystallography--Data processing--Congresses
QD906.7.E4 / I55 1988
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