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Mercury: visualization and analysis of crystal structures
Abstract
Since its original release, the popular crystal structure visualization program Mercury has undergone continuous further development. Comparisons between crystal structures are facilitated by the ability to display multiple structures simultaneously and to overlay them. Improvements have been made to many aspects of the visual display, including the addition of depth cueing, and highly customizable lighting and background effects. Textual and numeric data associated with structures can be shown in tables or spreadsheets, the latter opening up new ways of interacting with the visual display. Atomic displacement ellipsoids, calculated powder diffraction patterns and predicted morphologies can now be shown. Some limited molecular-editing capabilities have been added. The object-oriented nature of the C++ libraries underlying Mercury makes it easy to re-use the code in other applications, and this has facilitated three-dimensional visualization in several other programs produced by the Cambridge Crystallographic Data Centre.
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Cited by
The Cambridge Structural Database
Groom, C. R., Bruno, I. J., Lightfoot, M. P., & Ward, S. C. (2016) · Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials · doi:10.1107/s2052520616003954 · Cited by 10,297
Single-crystal x-ray diffraction structures of covalent organic frameworks
Ma, T., Kapustin, E. A., Yin, S. X., Liang, L., Zhou, Z., Niu, J., Li, L.-H., Wang, Y., Su, J., Li, J., et al. (2018) · Science · doi:10.1126/science.aat7679 · Cited by 1,381
Crystal Structure of Iron(II) Acetate
Weber, B., Betz, R., Bauer, W., & Schlamp, S. (2011) · Zeitschrift für anorganische und allgemeine Chemie · doi:10.1002/zaac.201000274 · Cited by 64
Nakonkhet, C., Nanok, T., Wattanathana, W., Chuawong, P., & Hormnirun, P. (2017) · Dalton Transactions · doi:10.1039/c7dt02435e · Cited by 31
Popiół, J., Gunia-Krzyżak, A., Piska, K., Żelaszczyk, D., Koczurkiewicz, P., Słoczyńska, K., Wójcik-Pszczoła, K., Krupa, A., Kryczyk-Poprawa, A., Żesławska, E., et al. (2019) · Molecules · doi:10.3390/molecules24122321 · Cited by 15
Metadata
- Authors
- Macrae, C. F., Edgington, P. R., McCabe, P., Pidcock, E., Shields, G. P., Taylor, R., Towler, M., & van de Streek, J.
- Venue
- Journal of Applied Crystallography
- Published
- 2006-05-10
- Volume
- 39
- Issue
- 3
- Pages
- 453-457
- ISSN
- 0021-8898 (ISSN-L)
- OpenAlex
- W2086945873
- Cited by
- 7,130
- References
- 0
- FWCI
- 233.05
- Type
- journal article
- Language
- en
- Open access
- closed
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- Macrae, C. F., Edgington, P. R., McCabe, P., Pidcock, E., Shields, G. P., Taylor, R., Towler, M., & van de Streek, J. (2006). Mercury: visualization and analysis of crystal structures. Journal of Applied Crystallography. https://doi.org/10.1107/s002188980600731x
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Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).
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