Tutorial of CSDU module 'Searching the CSD 101 - Searching Structures Online with WebCSD'

preview_player
Показать описание
Learn how to search the Cambridge Structural database (CSD) online in this CSDU (self-guided on-demand training) module “Searching the CSD 101 - Searching Structures Online with WebCSD”. This tutorial will show step-by-step how to how to build query options in WebCSD and run a search, with focus on the Structure Search features, including adding 3D parameters and similarity search, as well as downloading and analysing the results.

In this demo tutorial, we will cover:
- 00:47 Compound name search for salvinorin A and visualisation of results.
- 02:09 How to draw a substructure step-by-step using the sketcher under the Structure Search tab, including how to assign multiple elements types to an atom and how to add 3D parameters, and how to start a substructure search.
- 09:33 Visualise and explore the search results, with in-depth demonstration of the features of the 3D visualiser.
- 15:07 Download the results (cif files and additional structural data files, refcode lists, and parameter data) and analysis.
- 17:17 How to upload a Mol template file in the Structure Search sketcher and how to set up a similarity search and interpret the results, including the additional row with the similarity score.

Note: No previous knowledge is needed for this CSDU module.

Follow us on social media:
Instagram: @ccdc_cambridge
Twitter: @ccdc_cambridge
Рекомендации по теме
join shbcf.ru