Home
Software
Back
Software
Explore our structural chemistry software here, to support research in drug discovery, particle behaviour, solid form analysis and functional materials design, all using the world’s largest crystal structure database: the Cambridge Structural Database (CSD).
Community
Back
Community
Our mission is to advance structural science for the public benefit — here you can explore and access our free data, software, training support and educational resources.
- Community Overview
- Access/Deposit Structures
- CCDC for the Community
- Partnerships and Initiatives
- Education and Outreach
- Events
- Free Products
- Training and Learning
- Newsletter
Discover
Back
Discover
See how CSD data and software have been applied through case studies, webinars, white papers and more.
Consultancy Services
Back
Consultancy Services
With over 50 years at the forefront of structural chemistry, you’re in safe hands with CCDC Consultancy.
Research
Back
Research
As well as providing data and software, we also conduct research and regularly publish on topics around structural chemistry and data science, collaborating with leading researchers, in both academia and industry.
Support and Resources
Back
Support and Resources
Helping you get the most out of the CSD data and software, use these pages to get support, find licensing information, view documentation and other resources, and download software.
About
Back
About
Learn more about the CCDC, including how to work with us, donate to our charitable mission or get in touch.

Home
Software
Software
Explore our structural chemistry software here, to support research in drug discovery, particle behaviour, solid form analysis and functional materials design, all using the world’s largest crystal structure database: the Cambridge Structural Database (CSD).
- Overview
- By Field
- By Use Case
- By Suite
- All Software
- Software Integrations
- About the CSD
- How CSD Licences Work
- Latest Updates
Community
Community
Our mission is to advance structural science for the public benefit — here you can explore and access our free data, software, training support and educational resources.
- Community Overview
- Access/Deposit Structures
- CCDC for the Community
- Partnerships and Initiatives
- Education and Outreach
- Events
- Free Products
- Training and Learning
- Newsletter
Discover
Discover
See how CSD data and software have been applied through case studies, webinars, white papers and more.
Consultancy Services
Consultancy Services
With over 50 years at the forefront of structural chemistry, you’re in safe hands with CCDC Consultancy.
Research
Research
As well as providing data and software, we also conduct research and regularly publish on topics around structural chemistry and data science, collaborating with leading researchers, in both academia and industry.
Support and Resources
Support and Resources
Helping you get the most out of the CSD data and software, use these pages to get support, find licensing information, view documentation and other resources, and download software.
- Support and Resources Overview
- Documentation and Resources
- FAQs
- Downloads
- Licensing Information
- Training and Learning
- Contact Support
About
About
Learn more about the CCDC, including how to work with us, donate to our charitable mission or get in touch.
Search our website
Search our Support FAQs
Search technical FAQs covering everything from system requirements and installation, to how specific analyses work.
Go to FAQs
Search the CSD
Search for molecular crystal structures in the Cambridge Structural Database by keyword, reference, and more.
Go to the CSD

CCDC > Blog > Find CSP Landscapes Quicker

Find CSP Landscapes Quicker

Back To Discover

Written by

Michael Francis

Posted on

July 6, 2023

New Landscape Search Functionality Available Through On-Site WebCSD

CSD-Theory, the software suite that allows structural chemists to search, display and analyse crystal structure landscapes, giving new insights and advancing solid form design, continues to be developed with the release of new Landscape Search functionality available through On-Site WebCSD.

Users can now search for structures within Crystal Structure Prediction (CSP) landscapes, as well as searching for landscapes themselves.

Landscape search tab, for searching theoretical CSP structures

The results can be navigated by CSP landscape or by theoretical structure, allowing users to access details about the structures and the computations behind them.

CSP landscape search results, which are grouped by landscape. There is also the datasheet for the first structure in the landscape, including landscape details, a 3D visualization of the structure, and a Chemical diagram. — CSP search results can be grouped by Landscape or by theoretical structure.

Use the heatmap to identify the theoretical structures in your landscape that are similar, or those that are unique, to help with rapid clustering.

A Structural Similarity Heatmap, colour coded based on Number of molecules in common, which was calculated with the Crystal Packing Similarity component. There are some clusters of high similarity, and some with no molecules in common. — A Structural Similarity Heatmap, calculated with the Crystal Packing Similarity component.

Users can interact with the landscape alongside the experimental structure.

A CSP Landscape with Relative (lattice) energy (kJ mol^-1) on the Y-Axis and Crystal density (g cm^-3) on the X-axis. Crystal structures in the chart are colour-coded by BFDH habit, including Block, Needle, Plate and Lath. The Experimental structure and the selected structure are both highlighted in chart. There are selection boxes to change the values of the X-Axis, Y-Axis, Z-Axis, or to toggle from 2D to 3D. — A CSP Landscape

Next Steps

Find out more about CSD-Theory.

Find out more about the Cambridge Structural Database and On-Site WebCSD.

Find out more about the CSP Blind Tests.

Request a demo.

Tags

CSD (181)CSP Blind Test (14)WebCSD (21)