cambridge-structural-database

Molecular Modeling and Simulation
Spectroscopy
Database

Software Description

1

Info

Module Name

cambridge

Last Updated On

08/29/2023

Support Level

Secondary Support

Software Access Level

Open Access

Home Page

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

Documentation

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

Agate Modules

Default

2020

Other Modules

2013, 2015, 2016, 2016.1, 2017, 2018, 2020, 5.33, 5.35, testing.2019

Mangi Modules

Default

2020

Other Modules

2013, 2015, 2016, 2016.1, 2017, 2018, 2020, 5.33, 5.35, testing.2019

Mesabi Modules

Default

2020

Other Modules

2013, 2015, 2016, 2016.1, 2017, 2018, 2020, 5.33, 5.35, testing.2019