New software for searching the Cambridge Structural Database and visualizing crystal structures

International Union of Crystallography (IUCr) - Tập 58 Số 3 - Trang 389-397 - 2002
Ian Bruno1, Jason C. Cole1, Paul R. Edgington1, M. Kessler1, Clare F. Macrae1, Patrick McCabe1, J. Michael Pearson1, Robin Taylor1
1Cambridge Crystallographic Data Centre, 12 Union Road Cambridge CB2 1EZ, UK

Tóm tắt

Two new programs have been developed for searching the Cambridge Structural Database (CSD) and visualizing database entries: ConQuest and Mercury. The former is a new search interface to the CSD, the latter is a high-performance crystal-structure visualizer with extensive facilities for exploring networks of intermolecular contacts. Particular emphasis has been placed on making the programs as intuitive as possible. Both ConQuest and Mercury run under Windows and various types of Unix, including Linux.

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