CrystalExplorer
| CrystalExplorer | |
|---|---|
| File:CE17.jpg Screenshot of generated Hirshfeld surface in CrystalExplorer17 | |
| Original authors | D Jayatilaka and MA Spackman |
| Initial release | 2007 |
| Stable release | CrystalExplorer 21
/ 2021 |
| Repository |
|
| Engine | |
| Operating system | Windows 10/11 (64 bit), Ubuntu 20.04 LTS, MacOS 10.13+ |
| License | free-of-charge (Conditions applicable) |
| Website | crystalexplorer |
CrystalExplorer (CE) is a freeware designed to analysis the crystal structure with *.cif file format.[1]
CE is helpful to investigate different areas of solid-state chemistry such as Hirshfeld surface analysis, intermolecular interactions, polymorphism, effect of pressure and temperature on 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
[edit | edit source]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 intermolecular interactions, 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
[edit | edit source]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
[edit | edit source]- Cambridge Crystallographic Data Centre
- Crystallographic Information File
- International Union of Crystallography
References
[edit | edit source]- ^ a b Lua error in Module:Citation/CS1/Configuration at line 2172: attempt to index field '?' (a nil value).
- ^ Lua error in Module:Citation/CS1/Configuration at line 2172: attempt to index field '?' (a nil value).
- ^ Lua error in Module:Citation/CS1/Configuration at line 2172: attempt to index field '?' (a nil value).
- ^ Lua error in Module:Citation/CS1/Configuration at line 2172: attempt to index field '?' (a nil value).
- ^ a b Lua error in Module:Citation/CS1/Configuration at line 2172: attempt to index field '?' (a nil value).
- ^ Lua error in Module:Citation/CS1/Configuration at line 2172: attempt to index field '?' (a nil value).
- ^ Lua error in Module:Citation/CS1/Configuration at line 2172: attempt to index field '?' (a nil value).
- ^ Lua error in Module:Citation/CS1/Configuration at line 2172: attempt to index field '?' (a nil value).
- ^ Lua error in Module:Citation/CS1/Configuration at line 2172: attempt to index field '?' (a nil value).