Crystallography Links

Associations

• IUCr International Union of Crystallography (United Kingdom)
  • IUCr (San Diego mirror)
  • IUCr (France mirror)
  • IUCr (Switzerland mirror)
  • IUCr (South Africa mirror)
• CWW CrystallographyWorldWide (United Kingdom)
  • CWW (San Diego)
  • CWW (France)
  • CWW (Switzerland)
  • CWW (South Africa)
• ACA American Crystallographic Association
• BioSync The Structural Biology Synchrotron Users Organization -- US Synchrotron Beamlines for Macromolecular Crystallography

Databases

• The RCSB Protein Data Bank (Research Collaboratory for Structural Bioinformatics)
  • Rutgers RCSB mirror (closer to us)
• The CCDC Home Page
• Heavy Atom Databank Database of heavy atom derivatives and structures
• HIC-Up server Hetero-compound Information Centre - Uppsala
• Backup HIC-Up server Hetero-compound Information Centre - Uppsala
• Inorganic Crystal Structure Database
• Metalloprotein Database and Browser
• The Protein Structure Database (PSdb)
• Nucleic Acid Database Project (NDB)
• Biomolecular Structure and Modelling Group, University College London
  • Biocomputing group Several databases and other interesting links
  • Atlas of Protein Side-Chain Interactions
• BMCD Biological macromolecule crystallization database

  ---

• HOX Database
  • HOX-Pro db

  ---

• Structural Biology Software Database

Servers

• CRYSTOOL Computing of a high efficiency screening protocol for crystals
• Explore Symmetry On-line symmetry information like the International Tables (from the cctbx, see below)
• HIC-Up server Hetero-compound Information Centre - Uppsala
• Backup HIC-Up server Hetero-compound Information Centre - Uppsala
• CASTp server Pocket/Cavity calculations - Univ. Illinois at Chicago
• Dali server 3D structure comparisons
• EDS (Electron Density Server) server
• MolProbity Richardson's MolProbity server (requires Java)
• PRODRG Server Dundekk, UK -- convert coordinates into topology files -- with ASCII sketcher
• Merohedral Crystal Twinning Server Todd Yeates and Barry Fam at UCLA Department of Chemistry and Biochemistry and UCLA-DOE Laboratory of Structural Biology and Molecular Medicine
• BMERC PSA Server Protein Structure Prediction Server
• The PredictProtein server EMBL Heidelberg
• Protein-Protein Interaction Server

Software

• CRYSTOOL Computing of a high efficiency screening protocol for crystals
• eTray Efficient Design and Recording of Crystallization Trials
• XAct 1.0 construct, maintain, and record the results of crystallisation experiments

  ---

• The ARP/wARP home page Automatic Refinement (also included with CCP4)
• bmm software MULTIDOCK, FTDOCK + several databases
• BUSTER Development Group BUSTER and SHARP: Bricogne et al.
• CHAIN Florante Quiocho's Group
• The Crystallographic Information File (CIF)
• Collaborative Computing Project Number 4 (CCP4) Home Page
• Computational Crystallography Initiative
• Computational Crystallography Toolbox
• Denzo
  • HKL Research, Inc. Corporate Web Site
  • Denzo under Unix
  • Indexing with Denzo
• GRASP Home Page
• The Richardsons' 3D Protein Structure Laboratory and Kinemage Home Page
• Molecular Surfaces Michael Connolly
• MOOSE Macromolecular Structure Query
• The O WWW Home Page
• The PDBREPORT database
• Procheck Operating manual
• PRODRG Server Dundekk, UK -- convert coordinates into topology files -- with ASCII sketcher
• Protein Crystallography WWW Software Services Homepage
• Raster3D
• Ribbons
• SCWRL Joint Center for Structural Genomics
• SgInfo Space group Info or SgInfo (Mirror site at Yale U.)
• Shake and Bake Hauptman-Woodward Medical Research Institute
• SOLVE Automated structure solution for MIR and MAD
• SURFNET, LIGPLOT, NUCPLOT, ... Roman Laskowski
• Merohedral Crystal Twinning Server Todd Yeates and Barry Fam at UCLA Department of Chemistry and Biochemistry and UCLA-DOE Laboratory of Structural Biology and Molecular Medicine
• VMRL- Crystallographic Visualization
• X-PLOR Axel Brunger's Group
  • searchable archives of x-plor newsgroup
• XRayView display of diffraction geometry
• CCMS Software XtalView and others

  ---

• CCP14: Crystallography programming resources
• CCP14: Installing Free C/Fortran Compilers
• Linux Applications in Crystallography

Methods and Experiments

• Efficient Collection of Oscillation Data (CHESS - MacCHESS)
• X-ray Anomalous Scattering (Ethan Merritt, Univ. Washington)
• MIR Phase Determination
• Recent Advances in Phasing Proceedings of the CCP4 Study Weekend, January 1997
• MAD in macromolecular crystallography J.L. Smith in Proceedings of the CCP4 Study Weekend, January 1997
• The MAD method for protein crystallography Gwyndaf Evans, Thesis
• Multiwavelength Anomalous Diffraction: Treatment of MAD Data as a Special case of MIR

Synchrotrons

• BioSync US Synchrotron Beamlines for Macromolecular Crystallography
• World Directory of Synchrotron Instruments
• Storage ring synchrotron radiation sources around the world
• APS Advanced Photon Source
  • APS Status and Schedules
  • APS Experimental Facilities
• Cornell High Energy Synchrotron Source (CHESS)
  • MacCHESS - Macromolecular crystallography at CHESS
• MAX-LABORATORY Beamline BL711
• National Synchrotron Light Source (NSLS, Brookhaven)
  • Macromolecular X-Ray Crystallography at the National Synchrotron Light Source
  • NSLS Status Menu
  • Macromolecular Diffraction at X8-C
  • Macromolecular X-Ray Crystallography at X12-C
  • NSLS Biology Department Web Server On BNLSTB
  • Bridgeport - Port Jefferson Ferry
  • New London Ct. - Orient Point, L.I. Cross Sound Ferry Services, Inc.
• Photon Factory, KEK, Japan
• SESAME Synchrotron-light for Experimental Science and Applications in the Middle East
• Stanford Synchrotron Protein Crystallography Beamlines

Personal or group pages

• Michael Wahl (CCP4 and Linux)
• Alwyn Jones, Uppsala University
  • T. Alwyn Jones
  • Gerard Kleywegt
  • Uppsala Software Factory
  • Vigilantism ( Kleywegt & Jones )
  • Prot Crystallography can be fun ... the best from Dombo
• UCL Biochemistry Protein Analysis & Modelling
• Xtallography at LLNL
  • LLNL Cryo Notes 1995
  • Bernard Rupp's Crystallography Web Applets
• Bart Hazes University of Alberta
• Tom Oldfield's WWW Resources for Protein Structure Analysis and Modelling
• Biomolecular Structure Center at U.Wash.
• NCBI Structure Group
• Rossmann Lab Purdue
• Yale Center for Structural Biology

  ---

• Charlie Bond some nifty perl scripts
• Ethan Merrit
• Jurgen Sygusch Univ. de Montréal
• Adrian Goldman, Turku, Finland
• Wayne Hendrickson Columbia Univ./HHMI
• Zongchao Jia Queen's Univ. at Kingston
• Randy Read's group, Cambridge, UK
• Michel Sanner Scripps

Teaching (and Learning!) Crystallography

• Computer Graphics In Introductory Biochemistry
• Crystallography 101
• Crystallographic Topology
• Kevin Cowtan, Univ. York, UK Book of Fourier
• Interactive Structure Factor Tutorial
• Bart Hazes' tutorials University of Alberta
• Optical Transforms
• XRayView Diffraction visualisation
• Teaching guide X-ray and neutron diffraction
• Teaching Crystallography
• Teaching X-ray Diffraction mirror site at Michigan State
• Merohedral Crystal Twinning Server Todd Yeates and Barry Fam at UCLA Department of Chemistry and Biochemistry and UCLA-DOE Laboratory of Structural Biology and Molecular Medicine
• Twin-Refinement with SHELXL Regine Herbst-Irmer

Commercial

• Chemical suppliers

• Alfa ÆSAR Source for heavy-atom compounds
• Strem Chemicals Source for heavy-atom compounds
• Hampton Research Crystallization supplies

• Service contractor

• A. D. Industries & Consulting X-ray equipment service

• X-ray equipment

• ADSC Area Detector Systems Corporation
• Blake Industries e-mail address
• Bruker AXS (Formerly Siemens)
• Charles Supper Co.
• Goodfellow Suppliers of metals, polymers, ceramics & others
• HKL Research HKL, (Denzo & xdisplay)
• mar research
• Rigaku/MSC (formerly Molecular Structure Corporation (MSC)
• Nonius
• Osmic Inc. X-ray optics
• Oxford Cryosystems
• Oxford Diffraction Generators, detectors, etc.
• Oxford Instruments Another "Oxford" that makes cryo-systems

• Other

• Polycrystal Book Service