Searching the CSD 101 - Searching Structures Online with WebCSD
WebCSD allows you to search for structures in the Cambridge Structural Database (CSD) and to find the context of the structure in relation to its originality and/or comparison to other known molecules. WebCSD, which is accessible from the same portal as Access Structures, supports text/numeric, structure, unit cell, and formula searching across the CSD, with the benefit of returning the most up-to-date possible results as structures are continuously added to the CSD. Original deposited data can be obtained and exported for further analysis as well as the values of 3D parameters defined in a structure search.
In this CSDU module, you will explore advanced functionality in WebCSD. You will see in detail how to build query options, with focus on the Structure Search features, including similarity search.
- What the Cambridge Structural Database (CSD) is, and how you can search structures in it using Access Structures and WebCSD are.
- How to build a search, navigate hitlists and export results in WebCSD.
- How to construct a 2D structure search of the CSD.
- How WebCSD can be used to find similar structures of interest.
- How to perform advanced 3D structure searches to explore the values of distances, angles, rings, vectors and planes in structures of interest.
- This module does not require any software installed as WebCSD is accessed online: access here.
- You will need a CCDC account connected to a current valid CSD licence. To see how to create an account and activate WebCSD using your license, see this FAQ.
This module takes less than 2 hours to complete.