Harness knowledge-based science

For structural chemists, the components in CSD-System provide essential search, visualisation and analysis features to deliver knowledge from the Cambridge Structural Database (CSD). The functionality includes powerful 2D/3D search, extensive geometry analysis tools, intermolecular interaction analysis, high impact graphics and connectivity via the CSD Python API.

If you would like to become a user of CSD-System, simply follow this link.

CSD-System Applications

  • Find structures with WebCSD
    • Cross-platform web-based structure retrieval to support your research, education or peer review
  • Search with ConQuest
    • Answer very specific structure questions on your desktop using highly flexible 3D searching of the CSD and local in-house databases
    • Quickly identify structures based on a wide range of properties
    • Use interaction and structure-property knowledge to drive design decisions
  • Visualise and analyse in Mercury
    • Represent molecular conformations, crystal structures, crystallographic planes and simulated morphologies with high quality graphics and videos
    • 3D print your molecules and structures
  • Conformations using Mogul
    • Harness the millions of chemically classified bond lengths, angles, torsion angles, and ring conformations in the CSD to obtain precise information on preferred molecular geometries
  • Interactions with IsoStar
    • Use the wealth of structural information available in the CSD to investigate the probability and characteristics of intermolecular interactions between pairs of chemical functional groups
  • Connect with the CSD Python API (Application Programming Interface)
    • Create tailored scripts using the whole spectrum of CSD functionality to answer your targeted research questions
    • Integrate access to crystal data and CSD functions seamlessly with 3rd party software

What's new for the CSD-System in 2019?

  • At the end of 2018 we completed a multi-year software development project to replace the search engine at the heart of our well-known search program ConQuest. The rewriting of ConQuest’s fundamental search engine means that:
    • Many complex 2D substructure searches are now much faster
    • Nearly all types of search are significantly faster than the previous version
    • Element and formula searches are more effective
    • Many text searches now give more accurate results, especially author searches which now properly handle international name conventions
  • Throughout 2018, targeted improvements were also been made to WebCSD based on user feedback including:
    • Ability to expand the 3D visualiser to full screen
    • New formula searching option
    • Additional templates for structure search
  • In March 2019 we added polyhedral display functionality to Mercury, enabling users of the software a simple, intuitive option to generate high quality graphics of metal-organic structures using polyhedral representations for the metal-organic coordination centres


2019 Brochure



What's New

2019 What's New



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