Free CSD Products
The CCDC offers a selection of products and services free of charge for the benefit of the scientific community.
The services detailed below cover a wide range of crystallographic tools — from data deposition, validation, and visualization to teaching, research, and analysis.
Blog: What’s the difference between free Mercury and full licence Mercury?
Our free software are ideal for teaching chemistry, allowing you to demonstrate concepts like chirality, symmetry, and more.
Download our white paper with a full list of topics and teaching resources here.
These products are free to use, but they’re not free to maintain.
Support our non-profit mission to advance structural science globally by donating here.
Free CSD Products and Services
Open Source
Open source products are public and community-supported.
While they may have originated from or use CCDC data, we do not actively maintain or support these products.
CSD GitHub Repository
Find a range of scripts for use with the CSD data and software, to support automated, repeatable analyses using the CSD-Python API. You can download and use, or modify the scripts here, and share your scripts with the community!
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DASH
DASH is a versatile and interactive package for solving crystal structures from powder diffraction data.
In 2021 it was made open source and is now maintained by the community, allowing new features to develop.
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Fragment Hotspots
Given a whole protein and no prior knowledge, the Fragment Hotspots application identifies the location and quality of binding sites in minutes.
Not only do high scoring regions coincide with ligand binding site, but the very highest scoring regions specifically highlight fragment binding sites.
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Pipeline Pilot Component Collection
This component collection for Pipeline Pilot allows protocols to integrate functionality from the Cambridge Structural Database (CSD) Python API. This includes capabilities for CSD searching, model validation, conformer generator and virtual screening. There are also components to help in the integration of further Python scripts which may use the API.
Access on GitHub