Development of Crystallization Strategies using the Biological Macromolecule Crystallization Database Gary Gilliland, Michael Tung and Jane Ladner Postscript [1.6MB] Postscript.Z [0.4MB] Postscript.gz [0.2MB]

The Network Interface to the Nucleic Acid Database Helen Berman, Lester Clowney, Anke Gelbin, Christine Zardecki and John Westbrook The NDB NDB Tutorial Postscript [83MB] Postscript.Z [4.1MB] Postscript.gz [2.7MB]

Structure Comparison

Structural Neighbors and Structural Alignments: The Science behind Entrez/3D Steve Bryant and Christopher Hogue HTML Postscript [86KB] Postscript.Z [20KB] Postscript.gz [13KB]

Real-Time Substructure Searching using the Conformational Likeness Method Misha Ponomarenko, Ilya Shindyalov and Phil Bourne Tutorial Postscript [1MB] Postscript.Z [.4MB] Postscript.gz [.3MB]

Methodology

Data Processing

Data Processing in Macromolecular Crystallography Andrew Howard Postscript [103KB] Postscript.Z [43KB] Postscript.gz [33KB]

Advances in Accuracy and Automation of Data Collection and Processing Wladek Minor and Zbyszek Otwinowski Postscript [1MB] Postscript.Z [.6MB] Postscript.gz [.5MB]

Data Acquisition and Analysis at the Structural Biology Center Mary Westbrook and Jim Pflugrath HTML Postscript [.12MB] Postscript.Z [.4MB] Postscript.gz [.3MB]

Phasing

Plenary Lecture The Phase Problem: a Problem in Constrained Global Optimization Herb Hauptman Postscript [216KB] Postscript.Z [50KB] Postscript.gz [33KB]

Maximum-Likelihood Refinement of Incomplete Models with BUSTER and TNT John Irwin and Gerard Bricogne BUSTER Home Page Postscript [1.1MB] Postscript.Z [0.6MB] Postscript.gz [0.6MB]

Optimization of Electron Density Cross-Correlation with Its Square: Relationships for Phase Extension and Refinement Douglas Collins, John Konnert and James Stewart HTML Postscript [0.3MB] Postscript.Z [0.1MB] Postscript.gz [0.1MB]

Integration of Direct Method with Macromolecular Crystallographic Techniques Carmelo Giacovazzo, D. Siliqi and J. Gonzalez-Platas HTML Postscript [1.2MB] Postscript.Z [0.7MB] Postscript.gz [0.6MB]

SnB: Applying Shake-and-Bake to Proteins Charles Weeks and Russ Miller SnB Home Page Postscript [2.8MB] Postscript.Z [1.0MB] Postscript.gz [0.9MB]

A Rotation Function that uses Phases Richard Leggott and Peter Main

Refinement

High-resolution Structure Refinement George Sheldrick Postscript [0.5MB] Postscript.Z [0.2MB] Postscript.gz [0.2MB]

Full Matrix Least Squares Lynn Ten Eyck Postscript [1MB] Postscript.Z [0.3MB] Postscript.gz [0.2MB]

Electron Density Representation and Real Space Refinement E. Blanc, G. Zhou, Z. Chen, Q. Zie, J. Tang, J. Wang and Michael Chapman HTML Postscript [0.5MB] Postscript.Z [0.1MB] Postscript.gz [0.1MB]

The Joint Refinement of Inhibitors of Thermolysin Dale Tronrud Postscript [0.5MB] Postscript.Z [0.1MB] Postscript.gz [0.1MB]

Model Building

LORE: A Tool for Manipulating Known Structural Information in Protein Modeling and Crystallography Barry Finzel HTML Postscript [30KB] Postscript.Z [13KB] Postscript.gz [10KB]

A Semi-automated Map Fitting Procedure Thomas Oldfield Postscript [0.6MB] Postscript.Z [0.1MB] Postscript.gz [0.1MB]

Visualization

Considerations in the Design of Graphical User Interfaces for Macromolecular Crystallography Robert Sweet and John Skinner HTML Postscript [2.1MB] Postscript.gz [0.2MB]

Surface Lexicography Anthony Nicholls HTML Postscript [13.8MB] Postscript.Z [1.0MB] Postscript.gz [0.6MB]

An AVS/Express Interface to CCP4 David Wild and S. Choe HTML Postscript.Z [0.8MB] Postscript.gz [0.6MB]

Student Presentation: Sysabs - A program for the Visualization of Crystal Data Symmetry in Reciprocal Space. Craig Taverner Postscript [5MB] Postscript.Z [0.2MB] Postscript.gz [0.1MB]

Software Updates

XtalView Duncan McRee and Mark Israel Software Description Postscript [0.5MB] Postscript.Z [0.2MB] Postscript.gz [0.1MB]

The PROTEIN System: Real Space Techniques using Patterson and Fourier Maps Wolfgang Steigemann Software Description HTML Postscript [1.0MB] Postscript.Z [0.3MB] Postscript.gz [0.3MB]

A Collaborative Computational Project, Number 4 CCP-4: Providing Programs for Protein Crystallography Eleanor Dodson Software Description HTML Postscript [68KB] Postscript.Z [27KB] Postscript.gz [20KB]

SHELX for Macromolecules George Sheldrick Software Description Postscript [0.2MB] Postscript.Z [66KB] Postscript.gz [53KB]

MAIN Dusan Turk ftp Distribution Postscript [0.1MB] Postscript.Z [52KB] Postscript.gz [40KB]

SHARP Eric de La Fortelle, John Irwin, and Gerard Bricogne SHARP Home Page Postscript [1MB] Postscript.Z [0.5MB] Postscript.gz [0.5MB]

New Approaches

Crystallographic Topology and its Applications Carroll Johnson and Michael Burnett Topology Home Page Other Formats Postscript [3MB] Postscript.Z [0.9MB] Postscript.gz [0.5MB]

The Macromolecular CIF Dictionary Paula Fitzgerald, Helen Berman, Phil Bourne, Brian McMahon, Keith Watenpaugh and John Westbrook mmCIF Home Page HTML Postscript [16KB] Postscript.Z [9KB] Postscript.gz [6KB]

mmCIF Software Tools Shu-Hsin Hsieh, Steven Schirripa and John Westbrook HTML Postscript [20MB] Postscript.Z [0.7MB] Postscript.gz [0.4MB]

Supporting Technologies

Internet for Crystallographers - Beginners and Advanced Howard Flack HTML Postscript [7KB] Postscript.Z [4KB] Postscript.gz [2KB]

Object Oriented Programming in Crystallography David Moss and William Pitt HTML Postscript [99KB] Postscript.Z [37KB] Postscript.gz [24KB]

Modification of Crystallographic Codes for Parallel Architectures M.Ramanadham Postscript [0.3MB] Postscript.Z [102KB] Postscript.gz [80KB]