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Cambridge Structural Database at Stanford

Compiled and distributed by the Cambridge Crystallographic Data Centre (CCDC), the Cambridge Structural Database (CSD) is the world repository of small molecule crystal structures. Learn more about CSD and how much it has grown (CSD Statistics).

We have a campus-wide license for WebCSD plus the software — Cambridge Structural Database System or CSDS, SuperStar, DASH, and Hermes. Access options include:

  • Use WebCSD (for on- or off-campus use)
  • Install the software (on-campus use only)
  • Use CDSERVER: Access CSD, Mercury, DASH, Hermes, and SuperStar using a web browser and a Citrix plugin (for on- or off-campus use). Go to CDSERVER, login with your SUNet ID, and go to the Chemistry folder. For more details, please view “Chemistry Software Programs and Databases on CDSERVER” IN Off-Campus Access to Resources by Swain Library.

For help, contact Grace Baysinger (graceb@stanford.edu).

Installing CSD

Access: CSD software must be installed and can only be used on-campus. For off-campus access, please use WebCSD or CDSERVER.

License Key: To request a license key, please bring your Stanford ID to Swain’s circulation desk and ask for Aparna Sharma or Grace Baysinger during regular business hours. Two types of license keys are available: users with a fixed IP address (desktop users), and users on the wireless network that get a dynamically generated IP address. If you have a fixed IP address, please also bring your IP address with you when requesting the license key. The same license key is used for all of the programs we have licensed from the Cambridge Crystallographic Data Centre.

  • Users with a fixed IP address users: To make an IP-based license key available in a format that will work during the installation process, copy and paste the license key into a text file (e.g. Notepad) and save the file on your desktop with this name “csd_licence.dat.” For more details, please see FAQs: How do I Install an IP-Based License?
  • Users with a dynamically generated IP address: You will get an alternative license key that lets you access CSD anywhere on campus.

Download and Conditions of Use: After accepting usage conditions, you may download CSD to your computer (SUNet authentication required). It is also possible to install CSD software by checking out the CD-ROMs that are on Reserve at Swain Library. CSD software should be deleted when users graduate or are no longer affiliated with Stanford.

Update Frequency: The web version is updated weekly. The CD-ROMs are published annually (January–December) and are usually delivered by late November or early December. Updates are available periodically from the CCDC > News page. Access to the previous year’s version expires at the end of March.

About WebCSD

WebCSD, the web version of the Cambridge Structural Database (CSD) is available to Stanford students, faculty, and staff. It enables users to access the CSD anywhere, any time, without installing any software. It has an intuitive interface for searching. New structures are added to CSD weekly for up-to-date searches. For help using WebCSD, please see CSD - Help page.

Features of WebCSD include:

  • Substructure searching
  • Similarity searching (only available in WebCSD)
  • Text/numeric searching (journal reference, compound name, all text)
  • Reduced cell searching
  • Database browsing
  • Customizable 3D display using embedded AstexViewer applet — no local software installation required. External viewers also supported.
  • Single pane results window
  • Easy structure and result export features

About CSD, SuperStar, and DASH

Software we have licensed is listed below.

CSDS — Database & Access Software:

  • ConQuest: Search Interface to the CSD
  • Mercury CSD: Crystal Structure Visualization Available for free download
  • VISTA: Statistical Analysis of Geometric and Other Data
  • PreQuest: Creation of In-house Databases

CSDS — Knowledge Bases Derived from the CSD:

  • IsoStar: Knowledge Base of Intermolecular Interactions
  • Mogul: A Knowledge Base of Molecular Geometry

Life Sciences Products:

  • SuperStar: Predicting Protein-Ligand Interactions (for use with IsoStar)
  • Hermes: Pre- and Post-docking 3D Visualisation (for use with SuperStar)

Powder Diffraction (for Use with CSD):

  • DASH: Crystal Structure Solution from Powder Diffraction Data

Update Frequency: The web version is updated weekly. The CD-ROMs are published annually (January–December) and are usually delivered by late November or early December. Updates are available periodically from the CCDC > News page. Access to the previous year’s version expires at the end of March.

CSD - More Information

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