Scripps XtalView WWW Page
  last updated Aug 18, 2000

Mirror sites for these pages - use these to speed up download times:
     Across the Atlantic: CCP14 site in Daresbury, UK
     Down under: CCP14 mirror in Melbourne, Australia

  • NEW!!  XtalView for Mac OS X README    Download

  •                    Hardware stereo for LINUX, DEC alpha's
                       Xfit 4 now works with probe
                            The second edition of Practical Protein Crystallography is available
                           Want to convert a CNS map to XtalView?  Check out Christopher Putnam's CNS2FSFOUR

    XtalView 3.2

    XtalView is a crystallographic software package for fitting electron density maps and solving structures by MIR and MAD

    • Authors: Duncan E. McRee, Alex Shah, Mark Israel, and Michael Pique
    • Distribution
      • Academic (free): CCMS
      • Commercial: From TSRI (

    XtalView 3.2  - New features

    • Xfit
      • Support for ultra high resolution refinement
        • Anisotropic thermal parameters - reads writes U's and displays thermal probabilities
        • Improved disorder handling - can edit each side independently or together
        • SHELX-97 CIF Structure factor files (LIST 6)
      • B-splines - improves accuracy of interpolation without increasing memory use
      • Arbitrary contour grids
      • Improved geometry refinement
        • One-step refinements on Autofit menu:
          • Refine Region - click a residue and then choose this to refine a residue plus its two neighbours, hit spacebar until finished
          • Refine Range - click two endpoints, issue command, hit spacebar until finished
          • Refine-while-fitting - lets you drag atoms while the geometry and fit to density is being continuously updated
        • Phi-psi optimized to Ramachandran plot
        • Chi1 angles optimized by residue type
      • SigmaA maps - SigmaA 2mFo-Dfc and Fo-mFc maps are computed on the fly - combined with the "shake" option in SfCalc window this can greatly reduce phase bias
      • Raster3D interface - Xfit can call Raster3D directly for high quality rendering of map and model
      • Three dictionaries available with a click of the button on the Model window
        • No hydrogens
        • Polar hydrogens
        • Full hydrogens
      • More conformers added to dictionaries
      • Real-time contour levels - contours are adjusted interactively as you change levels
      • Model geometry error list - finds geometry errors - click an error to center it
      • Model window
        • Copy into buffer as well as cut
        • Renumber chain
        • Reverse chain
        • Sort by sequence numbers
        • Make C-terminus (adds second oxygen)
        • Ribosyme - insert now makes peptide bond to previous/next residue automatically
        • Atom level editing - remove an atom - change B/occupancy
    • OS
      • IRIX 6
      • LINUX "unwanted features" removed
    These features are still there
    • Xfit
      • Fits Proteins, Nucleic acids, carbohydrates and any arbitrary organic molecule
      • On the fly omit maps
      • Built in FFT - use phases instead of maps
      • Built in Structure Factor Calculations - update density to reflect model changes
      • Automated tracing
      • 20 levels of undo for model changes
      • Cut and paste between models
      • Split residue around active torsion
      • All major UNIX OS's supported (including LINUX)!
      • Refines against map and geometry in real-time

    Raster3D Support added in XtalView 3.2

    The new version of XtalView writes Raster3D input. You will need XtalView 3.2+ and Raster3D 2.3+ .

    To order XtalView click here

    Beta versions of xfit 3.7.1 (updated July 7, 1998)  Also see the hardware stereo versions

    These are late releases version of xfit for those who can't wait. Download the appropiate one and and put in the same directory as your current xfit (can be found by issuing a "which xfit" command). Note: these are unsupported and won't run correctly without the rest of XtalView. Other machine types, contact us.

    Hint: right-click the URL and pull down to Save Link As...

    The title image was made by contouring density in xfit and rendering with Molecular Images software.

    We have had 1066 visits since we started counting 8/1/97 (780 from 8/1-12/17/97)

    Contact: for XtalView help and (Duncan E. McRee) for comments on these pages.

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