WK.03 Get the Most out of the Cambridge Structural Database System
The Cambridge Structural Database (CSD) is the world's repository for small molecule organic and metal-organic crystal structures. As such, this chemically diverse database of more than 600,000 molecules is a crucially important resource for pharmaceutical discovery, materials development, research and education. The Cambridge Crystallographic Data Centre (CCDC) not only distribute the CSD but also provide a comprehensive set of software tools that enable the valuable structural data to be searched, analysed, visualised and explored.
This workshop will introduce you to the database and its associated software, known collectively as the CSD System, and illustrate the use of these structural data in a variety of applications. The workshop is ideal for inexperienced and experienced users alike and will feature introductory presentations for each component of the CSD System followed by the opportunity to use the software hands-on guided by our illustrative tutorials. Our experienced staff will be available to assist with any questions you might have. At the end of the workshop there will be the opportunity to learn more about WebCSD or to trouble-shoot with our experienced tutors.
09:00 - 09:30 Introduction to the CCDC and the CSD System: ConQuest, Mercury and Data Analysis Tools (Colin Groom)
09:30 - 10:30 Hands-on Session 1: Using ConQuest, Mercury and Data Analysis Tools (Colin Groom, Pete Wood)
10:30 - 11:00 Coffee break
11:00 - 11:30 Introduction to the CSDS continued: Advanced Mercury Functionality and Solid Form Suite (Pete Wood)
11:30 - 12:30 Hands-on Session 2: Using Advanced Mercury Functionality and Solid Form Suite (Colin Groom and Pete Wood)
12:30 - 13:30 Lunch (provided)
13:30 - 14:00 Introduction to the CSDS continued: Mogul and IsoStar
14:00 - 15:00 Hands-on Session 3: Using Mogul and IsoStar (Colin Groom and Pete Wood)
15:00 - 15:30 Coffee break
15:30 - 16:00 Introduction to WebCSD, the Online Search Interface to the CSD (Pete Wood)
16:00 - 17:30 Choice of Hands-on Session 4: WebCSD or Question and Answer Session
The workshop will consist of presentations to introduce CCDC software to attendees, followed by hands-on sessions. Computers will be provided with the CSD System installed for attendees to use, along with printed workshop exercise materials.
Pete Wood, Cambridge Crystallographic Data Centre
Colin Groom, Cambridge Crystallographic Data Centre
Organizer: Pete Wood, Cambridge Crystallographic Data Centre, [email protected]
Student or Postdoc - $130
All Others: $170