Cambridge Crystallographic Data Centre (CCDC)

A non-profit company with charitable status, which compiles and distributes a comprehensive database of organic and metal-organic compounds studied by X-ray and neutron diffraction.

A non-profit company with charitable status, which compiles and distributes a comprehensive database of organic and metal-organic compounds studied by X-ray and neutron diffraction.

Cambridge Crystallographic Data Centre (CCDC)

Other

12 Union Road

Cambridge

Cambridgeshire

CB2 1EZ

+44 (0)1223 336 408

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Membership type:

Charity <100 staff

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Analysing the world's structural chemistry data with the CSD Python API – programmatic, rapid, repeatable, automatable.

Events

22 Sep 2022 CCDC webinar: Analysing the world's structural chemistry data with the CSD Python API - Programmatic, Rapid, Repeatable, Automatable

Surface chemistry - the functional groups that contribute to a surface of ibuprofen. A van der Waals surface, generated during analysis with CSD-Particle, shows the surface chemistry at the 002 surface of ibuprofen (CSD Refcode: IBPRAC). Surface colours indicate the properties of the atom closest to each point on the surface: hydrogen bond donors are blue, hydrogen bond acceptors are red, and aromatic groups are shown in orange.

News

20 Jul 2022 New informatics suite to guide formulations decisions with a deep understanding of particle behaviour

A preview of GOLD on the 3DEXPERIENCE platform showing the COVID-19 main protease and its defined binding site, ready for virtual screening.

News

21 Feb 2022 Virtual drug design platform set to accelerate drug discovery

graphic_Advancing Green Energy - Functionalized MOFs Improve Hydrogen Interaction

News

20 Oct 2021 Advancing green energy: Functionalized metal-organic frameworks improve hydrogen interaction up to 80%

Image: The new CSD-Theory software allows easy visualisation and management of crystal structure prediction landscapes in a web-based platform, alongside experimental data.

News

14 Apr 2021 Cambridge Crystallographic Data Centre simplifies management of complex crystal structure prediction (CSP) data

The millionth structure added to the CSD

News

06 Jun 2019 Big data leads the way for structural chemistry

View all updates

Surface chemistry - the functional groups that contribute to a surface of ibuprofen. A van der Waals surface, generated during analysis with CSD-Particle, shows the surface chemistry at the 002 surface of ibuprofen (CSD Refcode: IBPRAC). Surface colours indicate the properties of the atom closest to each point on the surface: hydrogen bond donors are blue, hydrogen bond acceptors are red, and aromatic groups are shown in orange.

News

20 Jul 2022 New informatics suite to guide formulations decisions with a deep understanding of particle behaviour

A preview of GOLD on the 3DEXPERIENCE platform showing the COVID-19 main protease and its defined binding site, ready for virtual screening.

News

21 Feb 2022 Virtual drug design platform set to accelerate drug discovery

graphic_Advancing Green Energy - Functionalized MOFs Improve Hydrogen Interaction

News

20 Oct 2021 Advancing green energy: Functionalized metal-organic frameworks improve hydrogen interaction up to 80%

Image: The new CSD-Theory software allows easy visualisation and management of crystal structure prediction landscapes in a web-based platform, alongside experimental data.

News

14 Apr 2021 Cambridge Crystallographic Data Centre simplifies management of complex crystal structure prediction (CSP) data

The millionth structure added to the CSD

News

06 Jun 2019 Big data leads the way for structural chemistry

News

13 Mar 2019 Deeper scientific insights from structural chemistry through novel visualisation capabilities

View all news

Analysing the world's structural chemistry data with the CSD Python API – programmatic, rapid, repeatable, automatable.

Event

22 Sep 2022 CCDC webinar: Analysing the world's structural chemistry data with the CSD Python API - Programmatic, Rapid, Repeatable, Automatable

View all events

Closing date: 30 Sep 2022 Research and Applications Scientist - Discovery Science

Closing date: 30 Sep 2022 Senior Cheminformatics Data Scientist

Closing date: 31 Aug 2022 Business Development Assistant (Placement)

Closing date: 31 Aug 2022 Finance Manager

Closing date: 31 Aug 2022 Product Manager

Closing date: 31 Aug 2022 Research and Applications Scientist - Computational and Data Sciences

View all jobs

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