Commission on Crystallographic Computing

Crystallographic Computing 7

Proceedings from the Macromolecular Crystallography Computing School

Eds. Philip E. Bourne and Keith Watenpaugh

Held August 17-22, 1996, Western Washington University. WA

Editorial Phil Bourne and Keith Watenpaugh [ HTML | pdf ]
Acknowledgments [ HTML | pdf ]
Introduction Jim Stewart and Phil Bourne [ HTML | pdf ]
Contents

Photos
Banquet Humor
A Technical Note

Last Update April 02, 1997 PEB

Contents

The author who delivered the paper is underlined.

Macromolecular Crystallographic Data

Quality and Quantity

The Protein Data Bank: Current Status and Future Challenges Joel Sussman, Enrique Abola, Nancy Manning and Jaime Prilusky [ HTML | pdf ]

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 [ pdf ]

Databases

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

The Network Interface to the Nucleic Acid Database Helen Berman, Lester Clowney, Anke Gelbin, Christine Zardecki and John Westbrook [ The NDB | NDB Tutorial | pdf ]

Structure Comparison

Structural Neighbors and Structural Alignments: The Science behind Entrez/3D Steve Bryant and Christopher Hogue [ HTML | pdf ]

Real-Time Substructure Searching using the Conformational Likeness Method Misha Ponomarenko, Ilya Shindyalov and Phil Bourne [ Tutorial | pdf ]

Methodology

Data Processing

Data Processing in Macromolecular Crystallography Andrew Howard [ pdf ]

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

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

Phasing

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

Maximum-Likelihood Refinement of Incomplete Models with BUSTER and TNT John Irwin and Gerard Bricogne [ BUSTER Home Page | pdf ]

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

Integration of Direct Method with Macromolecular Crystallographic Techniques Carmelo Giacovazzo, D. Siliqi and J. Gonzalez-Platas [ HTML | pdf ]

SnB: Applying Shake-and-Bake to Proteins Charles Weeks and Russ Miller [ SnB Home Page | pdf ]

A Rotation Function that uses Phases Richard Leggott and Peter Main

Refinement

High-resolution Structure Refinement George Sheldrick [ pdf ]

Full Matrix Least Squares Lynn Ten Eyck [ pdf ]

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

The Joint Refinement of Inhibitors of Thermolysin Dale Tronrud [ pdf ]

Model Building

LORE: A Tool for Manipulating Known Structural Information in Protein Modeling and Crystallography Barry Finzel [ HTML | pdf ]

A Semi-automated Map Fitting Procedure Thomas Oldfield [ pdf ]

Visualization

Considerations in the Design of Graphical User Interfaces for Macromolecular Crystallography Robert Sweet and John Skinner [ HTML | pdf ]

Surface Lexicography Anthony Nicholls [ HTML | pdf ]

An AVS/Express Interface to CCP4 David Wild and S. Choe [ HTML | pdf ]

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

Software Updates

XtalView Duncan McRee and Mark Israel [ Software Description | pdf ]

The PROTEIN System: Real Space Techniques using Patterson and Fourier Maps Wolfgang Steigemann [ Software Description | pdf ]

A Collaborative Computational Project, Number 4 CCP-4: Providing Programs for Protein Crystallography Eleanor Dodson [ Software Description |HTML | pdf ]

SHELX for Macromolecules George Sheldrick [ Software Description | pdf ]

MAIN Dusan Turk [ pdf ]

SHARP Eric de La Fortelle, John Irwin, and Gerard Bricogne [ SHARP Home Page | pdf ]

New Approaches

Crystallographic Topology and its Applications Carroll Johnson and Michael Burnett [ Topology Home Page | Other Formats | pdf ]

The Macromolecular CIF Dictionary Paula Fitzgerald, Helen Berman, Phil Bourne, Brian McMahon, Keith Watenpaugh and John Westbrook [ mmCIF Home Page | HTML | pdf ]

mmCIF Software Tools Shu-Hsin Hsieh, Steven Schirripa and John Westbrook [ HTML | pdf ]

Supporting Technologies

Internet for Crystallographers - Beginners and Advanced Howard Flack [ HTML | pdf ]

Object Oriented Programming in Crystallography David Moss and William Pitt [ HTML | pdf ]

Modification of Crystallographic Codes for Parallel Architectures M.Ramanadham [ pdf ]

These pages are maintained by the Commission Last updated: 15 Oct 2021