The Cambridge Structural Database (CSD) is both a repository and a resource for the three-dimensional structural data of molecules generally containing at least carbon and hydrogen, comprising a wide range of organic, metal-organic and organometallic molecules. The specific entries are complementary to the other crystallographic databases such as the PDB, ICSD and PDF. The data, typically obtained by X-ray crystallography and less frequently by neutron diffraction, and submitted by crystallographers and chemists from around the world, are freely accessible (as deposited by authors) on the Internet via the CSD's parent organization's website (CCDC).
ConQuest is the primary program for searching and retrieving information from the CSD.
|Licenses||Software subject to license fees|
|Categories||Visualization Database Single Crystal Diffraction Crystallography|
|Hardware Requirements||-||Platforms||Linux Windows|
|Languages||There are no languages associated to this software.|
|Input Formats||There are no input formats associated to this software.|
|Output Formats||CIF GCDML MOL2 PDF SMILES|
CSD is available via web from: http://webcsd.ccdc.cam.ac.uk/index.php
CONQUEST is callable on the central cluster via the command:
Site licence. Licence file (license.txt) available from P:\EXP\SoM\Cambridge_CCDC
The entire CCDC package is downloadable (for Windows) from: P:\EX\SoM\Cambridge_CCDC\ccdc-2016 windows and (for Linux) P:\EXP\SoM\Cambridge_CCDC\linux\, respectively.
|Documentation / Tutorials|
Acta Cryst. (2002). B58, 389-397 I. J. Bruno, J. C. Cole, P. R. Edgington, M. Kessler, C. F. Macrae, P. McCabe, J. Pearson and R. Taylor "New software for searching the Cambridge Structural Database and visualising crystal structures"
|Instruments||BM20B (ESRF) ID11 (ESRF) ID22 (ESRF) ID23-1 (ESRF) ID23-2 (ESRF) ID29 (ESRF) ID30A-1 (ESRF) ID30A-3 (ESRF)|