Search, Visualize and Analyse Known Small Molecules
CSD-Core
Search, visualize and analyse known small-molecule organic and metal-organic crystal structure data with the CSD-Core suite.
CSD-Core provides full access to the >1.25 million structures within the Cambridge Structural Database (CSD), as well as a range of tools with essential search, visualization and analysis features. Knowledge from the CSD is therefore delivered with powerful 2D/3D searching, extensive geometry analysis tools, intermolecular interaction analysis, high impact graphics and connectivity via the CSD Python API.
One-click generation of high-quality structure representations are available for effective scientific communication including POV-Ray graphics rendering, videos and even 3D printing.
Who can benefit from using CSD-Core:
- Structural chemists wanting to use big-data learnings from the world’s largest database of small-molecule crystal structure data.
- Medicinal chemists or molecular modellers looking to learn about intermolecular contacts for use in structure-based drug design.
- Engineers and material scientists researching MOFs.
- Chemists looking to perform rational design of catalytic molecules based on their 3D structure.
- Researchers interested in structure-property relationships of molecular materials with interesting optical, magnetic, and electronic properties.
Applications
Find structures with WebCSD
Cross-platform web-based structure retrieval to support your research, education or peer review.
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, videos and 3D printing. Calculate the volume of voids, accessibility of pores and powder patterns for a phase from single-crystal data.
Investigate 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.
Investigate interactions with IsoStar
Use the wealth of structural information available in the CSD to investigate the probability and characteristics of intermolecular interactions between pairs of chemical functional groups.
Connect with the CSD Python API
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.
