Cambridge Structural Database

This is the Cambridge Structural Database (CSD) System software distribution site for UC Irvine. Questions regarding access to CSD software should be directed to Mitchell Brown (mcbrown@uci.edu, 949-824-9732).

CAUTION: The complete packages are several gigabytes in size. Due to the large file sizes, access to the CSD software downloads are restricted for wireless and VPN access. Please download the files from an Ethernet-connected campus computer. You will need the site and confirmation codes to register the product after it is installed and for the quarterly updates issued by Cambridge Crystallographic Data Centre.

Current Version: 2020

Note: The subscription/license to this product does not permit access from off-campus, even with VPN support, and wireless access is prohibited due to the size of the data files involved.WindowsMac OS XLinux/Unix

Cambridge Structural Database System for Windows 2020 Release (one zip file, requires 10 GB of disk space)

Contents: CSD v5.38, CSD Python API 1.3 (not supported on Windows XP), Conformer Generator 1.1, ConQuest 1.19, DASH 3.3.6, enCIFer 1.5.2, Hermes 1.8.2, GOLD 5.5, IsoStar 2.2.4 (Server is Linux 32-bit only), Mercury 3.9, Mogul 1.7.2, PreQuest, SuperStar 2.1.4.

Cambridge Structural Database System for Mac OSX 2020 Release (one dmg file, requires 10 GB of disk space)

Contents: CSD v5.38, CSD Python API 1.3, Conformer Generator 1.1, ConQuest 1.19, enCIFer 1.5.2, Hermes 1.8.2, GOLD 5.5, IsoStar 2.2.4 (Server is Linux 32-bit only), Mercury 3.9, Mogul 1.7.2.

Cambridge Structural Database System for Linux/Unix 2020 Release (one tar file, requires 10 GB of disk space)

Contents: CSD v5.38, CSD Python API 1.3, Conformer Generator 1.1, enCIFer 1.5.2, Hermes 1.8.2, GOLD 5.5, IsoStar 2.2.4 (Server is Linux 32-bit only), Mercury 3.9, Mogul 1.7.2, PreQuest (Linux 32-bit only), SuperStar 2.1.4).

Please read before downloading and using the Cambridge Structural Database

4.4 The CSD (Cambridge Structural Database) and CSD System (including downloaded data, manuals, results, and printed products) shall be used exclusively for the purpose of scientific teaching and research, which may include research such as, for example into drug development or drug modifications capable of commercial exploitation. The results of such research may be published through the normal academic channels, subject to the inclusion of a proper acknowledgement to the CCDC (Cambridge Crystallographic Data Centre) (see Part IV of the Schedule to this Agreement).

Part IV Acknowledgements

The following references should be quoted in all publications based on this License of Access:

The CSD System: The Cambridge Structural Database: A quarter of a million crystal structures and rising F.H. Allen, Acta Cryst. (2002), B58, 380-388

ConQuest: New software for searching the Cambridge Structural Database and visualizing crystal structures I.J. Bruno, J.C. Cole, P.R. Edgington, M. Kessler, C.F. Macrae, P McCabe, J. Pearson, R. Taylor, Acta Cryst. (2002), B58, 389-397

Mercury: Mercury: visualization and analysis of crystal structures C.F. Macrae, P.R. Edgington, P McCabe, E. Pidcock, G.P. Shields, R. Taylor, M. Towler, J. van de Streek, J. Appl. Cryst. (2006), 39-3, 453-457

IsoStar: A library of information about nonbonded interactions I.J. Bruno, J. Cole, J. P. M. Lommerse, R.S. Rowland, R. Taylor, M. Verdonk, Journal of Computer Aided Molecular Design (1997), 11-6, 525-537

Mogul: Retrieval of crystallographically derived molecular geometry information I.J. Bruno, et al Journal of Chemical Information and Computer Sciences (2005), 44-6, 2133-2144

SuperStar: A knowledge-based approach for identifying interaction sites in proteins M.L. Verdonk, J.C. Cole, R. Taylor, Journal of Molecular Biology (1999), 289, 1093-1108

Useful Links

If you require assistance with this resource, please contact a UCI Libraries Reference Desk:

  • Langson Library - (949) 824-4976
  • Science Library - (949) 824-4976
  • Grunigen Medical Library - (714) 456-5583