- ARITVE
- Glass structure modeling software for Windows computers, utilizing a Rietveld-type approach.
- Bond Valence Wizard
- Software developed to predict bond lengths in crystal structures. Provides free download and a user's guide.
- CaRIne Crystallography 4.0
- Crystallographic software capable of interactively dealing with various geometrical representations of crystals.
- Collaborative Computational Project No. 4
- Macromolecular x-ray crystallography software. Site presents downloads, documentation, licensing information, and related projects.
- Crystal Analysis Operating System
- Crystallographic software package created for the determination of crystal structure from single crystal diffraction data.
- Crystal Studio
- Crystallography software package for Windows capable of 3D graphical design, display and manipulation of crystal structures, and the simulation of x-ray, neutron, and electron diffraction patterns.
- CrystalDesigner
- Crystal structure building, visualization, and study software created for Mac computers.
- Gnu Xtal System
- Comprehensive modular software suite focusing on small molecule crystallography.
- Jana2006
- Crystallographic software tool designed for the solution, refinement, and interpretation of difficult structures, particularly modulated ones.
- KPLOT
- Free software for drawing and analyzing crystal structures. Has the facility to work with two crystal structures simultaneously and provides tools for comparison.
- Mercury
- Crystal structure visualization and exploration software. Includes a full range of structure display styles, various output options, and the ability to create and display centroids and Miller planes.
- MWL 400 ScanORIENT
- Crystallography software serving as a production, research, and education tool. Facilitates the fast orientating and indexing of back-reflection Laue patterns from Polaroid™ films.
- NetSci's List of Crystallography Software
- Directory of crystallography software with descriptions and homepage links.
- Phenix
- Software suite developed for the automated determination of macromolecular structures using x-ray crystallography and other methods. Available free of charge for nonprofit users.
- pubICIF
- Free software for editing and previewing a crystallographic information file (CIF) for publication.
- RPluto
- Tool for the graphical display of molecular and crystal structures. Facilitates intra and intermolecular geometric analysis, plot and report preparation, and molecular and packing diagram display.
- SnB
- Determines crystal structures from X-ray diffraction data using a dual-space direct methods procedure.
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