CrystalExplorer

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CrystalExplorer
Original author(s)D Jayatilaka and MA Spackman
Initial release2007; 17 years ago (2007)
Stable release
CrystalExplorer 21 / 2021; 3 years ago (2021)
Operating systemWindows 10/11 (64 bit),
Ubuntu 20.04 LTS,
MacOS 10.13+
Licensefree-of-charge (Conditions applicable)
Websitecrystalexplorer.net

CrystalExplorer (CE) is a freeware designed to analysis the crystal structure with *.cif file format.[1]

CE is helpful to investigate different areas of

crystal structure, single-crystal to single-crystal reactions, analyzing the voids present in crystal, and structure-property relationships.[1][2]

The graphical interface of CE towards the 3D crystal structure visualization aids in drawing the crystal structure with or without Hirshfeld surface.[3]

History

CrystalExplorer launched as a graphical user interface which facilitates the visualization of interactions in molecular crystal structures. In 2006, M. A. Spackman's student Dylan Jayatilaka and coworkers presented a paper about their new crystallographic software in the occasion of 23rd European Crystallographic Meeting (ECM23) conducted in Leuven.[4] This software was designed by School of Biomedical and Chemical Sciences, University of Western Australia, Nedlands 6009, Australia. From 2006 onward researchers started citing the program in their research papers.[5]

CrystalExplorer 2.1 designed for Mac OS X, Windows and Linux platforms for the analysis of crystal structures and can be used to investigate many areas of solid-state chemistry such as studying

polymorphism, the effects of pressure and temperature on crystal structures, single-crystal to single-crystal reactions, analyzing crystal voids, structure-property relationships,[6] isostructural compounds,[7] and calculate intermolecular interaction energies.[8]

Currently in 2020 September, there are more than 2000 research papers that cite CrystalExplorer software as per google scholar analysis.[5]

Licence

CrystalExplorer17 is licensed free-of-charges under conditions, such as not using the free version of CrystalExplorer to conduct commercial or confidential research, or research that is not likely to be published in a peer-reviewed journal.[9]

See also

References

  1. ^ a b "CrystalExplorer Main Page". crystalexplorer.scb.uwa.edu.au. Archived from the original on 7 March 2020. Retrieved 31 August 2020.
  2. doi:10.1039/B818330A
    .
  3. PMID 28932404
    .
  4. ^ "CrystalExplorer: a tool for displaying Hirshfeld surfaces and visualising intermolecular interactions in molecular crystals". Acta Crystallogr. A62: s90. 2006.
  5. ^ a b "Google Scholar". scholar.google.com.
  6. ^ "CrystalExplorer 2.1 - CrystalExplorer is a fully-featured molecular crystal visualization tool". software.informer.com. software.informer.com.
  7. doi:10.1016/j.jfluchem.2014.04.002
    .
  8. PMID 34188619
    .
  9. ^ "CrystalExplorer - Licensing". crystalexplorer.scb.uwa.edu.au. Archived from the original on 7 March 2020. Retrieved 31 August 2020.

External links

Retrieved from "https://en.wikipedia.org/w/index.php?title=CrystalExplorer&oldid=1216960449"