Crystallographica

A software toolkit for crystallography

Crystallographica is a unique toolkit aimed at all scientists whose work involves crystallography. Combining an easy-to-use Microsoft Windows interface with a powerful and flexible crystallographic engine, it can serve as a ‘friendly crystallographer’ for the non-specialist, but has more than enough power to satisfy the most demanding professional. Ideal for teaching too! Functions include:

  • Crystal structure drawing with VRML export
  • X-ray and neutron powder pattern simulation
  • Weighted and unweighted reciprocal lattice display
  • Fully scriptable using Pascal interpreter with extensive library of crystallographic functions

Crystallographica is now available free from the downloads page.

If you wish to cite the use of Crystallographica please use the following reference: Crystallographica – a software toolkit for crystallography, J. Appl. Cryst. (1997). 30, 418-419. Read the review.

Crystallographica runs under all 16- and 32-bit versions of Windows. Use with a 64-bit edition of Windows will require an emulator such as Microsoft’s Windows Virtual PC.