Find, analyse and communicate crystal structures

For chemists in academia and industry wanting to discover, access and visualise crystal structures easily to support their research. The CSD-System brings you the essential crystallographic and structural chemistry capabilities to deliver knowledge from the CSD: powerful 2D/3D search, extensive geometry analysis tools, inter- and intra-molecular interaction analysis, high impact graphics and new API connectivity.

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 lookup for the research community
  • 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 interaction information available in the CSD and in the Protein Data Bank (PDB) to show the probability and characteristics of interactions between specific 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 2017?

  • The exciting new CSD Python API has been improved for usability including:
    • Seamless installation of the CSD Python API within the CSD 2017 release
    • An upgraded CSD Python API menu in Mercury with even more scripts
  • Enhancements to Mercury and ConQuest including the ability to:
    • Make use of touch-screens with Mercury for pinch, pan and zoom
    • Sketch a molecule within Mercury and convert to a 3D model
    • Perform additional crystallographic transformations in Mercury (such as inversion, switching space group settings or changing origin choice)
    • Utilise two new metal-organic framework (MOF) subsets within ConQuest

Brochure

Brochure

Datasheet

Datasheet

Newsletter

Newsletter

Components

Components

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