CSD is the world repository for small molecule crystal structures. The database contains:
Licensed for use by UW-Madison faculty, staff, students
WebCSD Teaching Examples
NOTE: CCSD recommends using Safari for Macs and any Windows browsers.
See technical requirements for WebCSD access.
Available search types include:
Database entries are displayed in three columns:
Text/Numeric Search: Select type of truncation in the MATCH drop-down menu.
Combine searches of the same type in the query window, such as a TEXT/NUMERIC query containing an author's last name and a compound name.
WebCSD Chemical Sketcher drawing program supports .xml, .mol, and .sdf file types.
Similarity calculations are based on molecular fingerprints using either of the Tanimoto or Dice coefficients.
Search tip: Draw a full molecule rather than a substructure. It is not necessary to draw the hydrogens on your molecule because hydrogens are not included explicitly in the similarity calculation.
Results can be viewed online in two different 3-D viewers:
Crystal structures can be exported for vewing in Mercury (http://www.ccdc.cam.ac.uk/products/mercury/). Basic Mercury is free; UW-Madison users may download Licensed Mercury. UW-Madison users should email librarian Ariel Andrea for the license.
CSDS Software includes: