cambridge-structural-database

Summary

• Module Name: cambridge

• Support Level: Secondary Support

• Software Access Level: Open Access

• Home Page: http://www.ccdc.cam.ac.uk/support/csd_doc/zdocmain.html

Software Description

The Cambridge Structural Database (CSD) is the the largest searchable database of experimentally determined crystal structures and is maintained by the the Cambridge Crystallographic Data Center (CCDC) . This software is available for use when connected to the UMN network.

General Linux

To run this software interactively in a Linux environment run the command:

module load cambridge

The complete CSD system includes the database as well as the following graphical search, retrieval and data visualization software:

Program (executable) - Description

• ConQuest (cq) - 1, 2 and 3D searching of the CSD

• VISTA (vista) - Statistical analysis and graphical display

• PreQuest (prequest) - Creating Quest searchable databases, in-house

• Mercury (mercury) - Structure visualization

• Mogul (mogul) - A Knowledge Base of Molecular Geometry

• IsoStar (run_isostar) - A Knowledge Base of Intermolecular Interactions

• Hermes (hermes) - 3-D visualizer and frontend for SuperStar

• SuperStar (superstar) - Knowledge-based analysis of intermolecular interactions