Proceedings of Crystallographic Computing 7

Philip Bourne bourne at HERCULES.SDSC.EDU
Fri Apr 4 16:23:34 EST 1997

The electronic version of the Proceedings of Crystallographic Computing 7
are now available at http://www.sdsc.edu/Xtal/IUCr/CC/School96/ or via
anonymous ftp from ftp.sdsc.edu in the directory

This meeting was sponsored by the Computing Commission of the
International Union of Crystallography (IUCr) and covered all aspects of
macromolecular crystallographic computing. A list of the papers is

Philip E. Bourne
Chairman, IUCr Computing Commission.

Editorial Phil Bourne and Keith Watenpaugh 
Introduction Jim Stewart and Phil Bourne 


Macromolecular Crystallographic Data

Quality and Quantity

The Protein Data Bank: Current Status and Future Challenges Joel Sussman,
Enrique Abola, Nancy Manning and Jaime Prilusky 

Methods to Assess and Classify Protein Structure Coordinates Janet Thornton,
A. Michie, E. Hutchinson, R. Laskowski, and C. Orengo

Procedures for Assessing the Quality of X-ray Structures of Macromolecules
Shoshana Wodak, Joan Pontius, Alexei Vaguine, and Jean Richelle 


Development of Crystallization Strategies using the Biological Macromolecule
Crystallization Database Gary Gilliland, Michael Tung and Jane Ladner

The Network Interface to the Nucleic Acid Database Helen Berman, Lester
Clowney, Anke Gelbin, Christine Zardecki and John Westbrook 

Structure Comparison

Structural Neighbors and Structural Alignments: The Science behind Entrez/3D
Steve Bryant and Christopher Hogue 

Real-Time Substructure Searching using the Conformational Likeness Method
Misha Ponomarenko, Ilya Shindyalov and Phil Bourne 


Data Processing

Data Processing in Macromolecular Crystallography Andrew Howard 

Advances in Accuracy and Automation of Data Collection and Processing Wladek
Minor and Zbyszek Otwinowski 

Data Acquisition and Analysis at the Structural Biology Center Mary
Westbrook and Jim Pflugrath 


Plenary Lecture The Phase Problem: a Problem in Constrained Global
Optimization Herb Hauptman 

Maximum-Likelihood Refinement of Incomplete Models with BUSTER and TNT John
Irwin and Gerard Bricogne 

Optimization of Electron Density Cross-Correlation with Its Square:
Relationships for Phase Extension and Refinement Douglas Collins, John
Konnert and James Stewart 

Integration of Direct Method with Macromolecular Crystallographic Techniques
Carmelo Giacovazzo, D. Siliqi and J. Gonzalez-Platas 

SnB: Applying Shake-and-Bake to Proteins 

A Rotation Function that uses Phases Richard Leggott and Peter Main


High-resolution Structure Refinement George Sheldrick 

Full Matrix Least Squares Lynn Ten Eyck 

Electron Density Representation and Real Space Refinement E. Blanc, G. Zhou,
Z. Chen, Q. Zie, J. Tang, J. Wang and Michael Chapman 

The Joint Refinement of Inhibitors of Thermolysin Dale Tronrud 

Model Building

LORE: A Tool for Manipulating Known Structural Information in Protein
Modeling and Crystallography Barry Finzel 

A Semi-automated Map Fitting Procedure Thomas Oldfield 


Considerations in the Design of Graphical User Interfaces for Macromolecular
Crystallography Robert Sweet and John Skinner 

Surface Lexicography Anthony Nicholls 

An AVS/Express Interface to CCP4 David Wild and S. Choe 

Student Presentation: Sysabs - A program for the Visualization of Crystal
Data Symmetry in Reciprocal Space. Craig Taverner 

Software Updates

XtalView Duncan McRee and Mark Israel 

The PROTEIN System: Real Space Techniques using Patterson and Fourier Maps
Wolfgang Steigemann 

A Collaborative Computational Project, Number 4 CCP-4: Providing Programs
for Protein Crystallography Eleanor Dodson 

SHELX for Macromolecules George Sheldrick 

MAIN Dusan Turk 

SHARP Eric de La Fortelle, John Irwin, and Gerard Bricogne 

New Approaches

Crystallographic Topology and its Applications Carroll Johnson and Michael

The Macromolecular CIF Dictionary Paula Fitzgerald, Helen Berman, Phil
Bourne, Brian McMahon, Keith Watenpaugh and John Westbrook 

mmCIF Software Tools Shu-Hsin Hsieh, Steven Schirripa and John Westbrook

Supporting Technologies

Internet for Crystallographers - Beginners and Advanced Howard Flack 

Object Oriented Programming in Crystallography David Moss and William Pitt

Modification of Crystallographic Codes for Parallel Architectures

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