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  • Workshop

The Dark Crystal Structure

This workshop guides users through navigating and combining the Cambridge Structural Database (CSD) tools, comparing the WebCSD interface with the ConQuest client to execute, refine, and optimize 3D crystal structure searches. Participants will learn advanced retrieval techniques for organic and coordination compounds while exploring complementary resources like ICSD, PDB, and Reaxys.

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August 12, 2026, 11:30am - 12:45pm
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Hybrid: Chemistry Library Computer Lab, and Online
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Open to Penn Students, Faculty, and Staff

Hosted by: Chemistry Library

An image of reference books, a coffee cup, and a molecular model of caffeine.

In a dark world where database representations of structures can be inaccurate and misleading, the Cambridge Structural Database, the most comprehensive database of crystal structures of organic molecules and coordination compounds, has been split in two. WebCSD, the Web-based interface, is gaining in power and prominence, while the gentle ConQuest client continues to exude its calm power over precise structure retrieval. Our searchers will strive to unite the two halves and retrieve crystal structure files of interest, explore their 3D parameters, and learn creative techniques of refining and combining searches for maximum efficacy. Side-quests seeking crystallographic information using ICSD, PDB, Reaxys, and other CSD software enhance the story. Most of the action occurs on the CSD client software; this is installed on the computers in the Chemistry Library Computer Lab, but attendees who want to use their own hardware should be sure to install the CSDS on their computers before the session begins.

Starring the Cambridge Structural Database System, with cameo appearances by ICS, PDB, and Reaxys.

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