Find, analyse and communicate crystal structures

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 intramolecular interaction analysis, high impact graphics and new API connectivity.

Who can benefit from using CSD-System?

  • Chemists in academia and industry wanting to discover, access and visualise crystal structures easily to support their research.
  • Crystallographers and modellers wanting to mine, visualise and analyse crystal structure data.
  • Medicinal chemists and modellers wanting to optimise geometry and interactions as part of their ligand design process.
  • Depositors, reviewers and publishers wanting to access crystallographic data and for the data to be readily accessible to other researchers, discoverable and reusable.
  • Educators wanting to use crystal structure data to enhance the learning experience for their students.

What's new for CSD-System?

The exciting new CSD Python API means you can now access almost all capabilities of the CSD-System programmatically.

You can:

  • Create your own specialist analysis applications using any CSD-driven functions, configuring CSD-based analysis for your research needs
  • Publish your own custom menus in Mercury to support collaboration and teaching
  • Share your custom CSD Python API functions with others as a member of the worldwide CSD user community and benefit from their routines, all through the portal on the CCDC website
  • Access functionality from pipelining tools or your own web pages

Enhancements to Mercury for analysis and visualization include the ability to:

  • Produce new, high-impact graphics renderings, for publications and displays
  • Output files for 3D printing
  • Produce movies, to demonstrate dynamic processes
  • Identify and assign chiral centres (R or S)

Brochure

Brochure

Datasheet

Datasheet

Newsletter

Newsletter

Components

Components

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