“All we have discovered is that it starts with a single individual – always a child – and then spreads explosively, like the formation of crystals round the first nucleus in a saturated solution.” Arthur C. Clarke (Childhood’s End, 1953)

  • ShelX is a robust and widely used software suite for solving and refining crystal structures from single-crystal X-ray or neutron data. It offers efficient tools for model refinement, handling disorder/twinning, and applying constraints and restraints, making it a cornerstone of modern crystallographic analysis.
  • WinGX (Windows only) is an integrated software package that provides a graphical interface for many commonly used crystallographic programs used in small-molecule single-crystal structure analysis. It streamlines tasks such as data processing, structure solution, refinement, visualization, and validation by bringing tools like SHELX, ORTEP, and PLATON into one cohesive environment. WinGX is widely used for its practicality, ease of use, and ability to manage the entire workflow from raw data to final publication-quality results.
  • Olex2 is a modern crystallographic software platform designed for intuitive structure solution, refinement, and visualization of single-crystal X-ray diffraction data. Its user-friendly graphical interface allows users to work efficiently through every stage of the crystallographic workflow, from data import to refinement and reporting. Olex2 includes powerful modeling tools, advanced refinement capabilities, and high-quality visualization, making it popular among both new and experienced crystallographers for routine structure analysis and complex crystallographic problems alike.
  • Jana2020 is a crystallographic program focused on the solution, refinement, and interpretation of standard, modulated, and magnetic structures from X-ray, electron, and neutron diffraction data. 
  • DIRDIF (Windows version: link) is a crystallographic software package designed for solving crystal structures using the direct and Patterson methods. It is particularly useful for cases where heavy atoms can be identified early in the analysis, allowing the remainder of the structure to be determined through iterative refinement and model building. DIRDIF has long been valued for its robustness, efficiency, and ability to handle complex molecular systems, making it a reliable tool in small-molecule crystallography workflows.
  • SIR2019 is the latest product of the Sir family, widely used for the crystal structure solution of small/medium size and proteins single-crystal structures using either X-ray or electron diffraction data.