At a glance

Swain Chemistry & Chemical Engineering Library

CSD Enterprise and WebCSD at a glance

CSD Enterprise at a glance

CSD-System now comprises the Cambridge Structural Database (CSD) and software that enables the unlocking of value from the experimental crystal structure data. Capabilities of CSD-System include:

  • Powerful search, advanced 2D/3D visualisation and flexible results analysis
  • Conformation analysis
  • Fragment interaction maps
  • CSD Python API (Applications Programming Interface)

 More about CSD System
 CSD-Discovery provides insights for computational and medicinal chemists. Capabilities of CSD-Discovery include:

  • Ligand based drug design with conformer generation and ligand overlay
  • Structure based drug design including SuperStar intermolecular interaction maps and CSD Full Interaction Maps (FIMS)
  • Protein-ligand docking using GOLD
  • API functions including conformer generation

 More about CSD Discovery
 CSD-Materials enables scientists to bring a structural perspective to solid form selection. Capabilities of CSD-Materials include:

  • Crystal structure determination from power diffraction data using DASH
  • Polymorph risk assessment through hydrogen bond propensity, conformational and intermolecular analysis, and FIMS
  • Crystal packing studies
  • Hydrate analysis
  • Cocrystal screen design using molecular complementarity
  • API functions including crystal packing similarity, powder X-ray diffraction simulation and comparison, as well as conformer generation.

 More about CSD Materials

WebCSD at a glance

Updated weekly, 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.

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

More information about WebCSD