Screenshot of generated Hirshfeld surface in CrystalExplorer17
| |
| Original author(s) | D Jayatilaka and MA Spackman |
|---|---|
| Initial release | 2007; 17 years ago (2007) |
| Stable release | CrystalExplorer 21 / 2021; 3 years ago (2021) |
| 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]
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]
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]
|
Computational chemistry software
| |||||
|---|---|---|---|---|---|
| Cheminformatics |
| ||||
| Chemical kinetics |
| ||||
| Molecular modelling and visualization | List of molecular graphics systems
| ||||
| Molecular docking | List of protein-ligand docking software
| ||||
| Molecular dynamics |
| ||||
| Quantum chemistry | List of quantum chemistry and solid-state physics software
| ||||
| Skeletal structure drawing |
| ||||
| Others |
| ||||
