CCDC Software Suites
We offer a range of data and software to support molecular discovery, materials design, and crystallography research. This includes both free and paid software. Below you can find a table showing each of the software suites that are available, as well as our Add on Packages that can be purchased as an add on to any of our paid software suites.
For more information about our licence types, including the free tools and price reductions available for academic users, please see this page about CSD Licences.
Suite Comparison
A selection of products and services free of charge for the benefit of the scientific community.
Full access to the data within the CSD, and to a range of essential search, visualisation and analysis features.
Includes CSD-Community plus:
and Core level access to:
Access to a range of software and database tools covering scientific applications within the drug discovery field.
Includes CSD-Core plus:
including:
- Field-based Ligand Screener
- Cavity and Sub-pocket Search
- Protein-ligand Substructure & Interaction Mining
including:
- CSD Conformer Generator
- CSD Ligand Overlay
Explore and develop exciting new materials through analysing intra- and intermolecular interactions within the lattice, helping you to understand your material’s behaviours and refine its properties.
Includes CSD-Core plus:
- Molecular Complementarity
- Solid Form Analysis, such as Hydrate Analyser, Solvate Analyser, and Aromatics Analyser
- Crystal Packing Similarity
- Hydrogen Bond Propensity
- Hydrogen Bond Statistics
- Full Interaction Maps
- H-Bond Quick View
- Calculations such as BFDH Morphology, MOPAC & UNI Intermolecular Potentials
- CSD Conformer Generator
in both:
For end-to-end molecular design. Access to the CSD and all the software to maximise the value of the data to your research.
Includes:
Access to CSD-Core, CSD-Discovery and CSD-Materials
Understand particle behaviour and anticipate manufacturing bottlenecks to guide formulation decisions.
Add-on package including:
- Morphology Prediction with BFDH
- Morphology Prediction with VisualHabit
- Surface Analysis (including Full Interaction Maps on Surface)
- Slip Plane Analysis
in both:
Search, display and analyse crystal structure landscapes, to spark new insights and advance solid form design.
Add-on package including:
- CSP Data Storage
- CSP Data Visualisation
- CSP Data Comparisons
- CSP Report Export
- PXRD Match
in both:
plus:
- CSD Landscape Generator
in both:
and:
- CCDC ingestion support and services