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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
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Meeting (ECM23) conducted in Leuven. 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.
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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.
219:, single-crystal to single-crystal reactions, analyzing crystal voids, structure-property relationships, isostructural compounds, and calculate intermolecular interaction energies.
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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
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The graphical interface of CE towards the 3D crystal structure visualization aids in drawing the crystal structure with or without
Hirshfeld surface.
336:"CrystalExplorer model energies and energy frameworks: extension to metal coordination compounds, organic salts, solvates and open-shell systems"
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Currently in 2020 September, there are more than 2000 research papers that cite
CrystalExplorer software as per google scholar analysis.
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392:"CrystalExplorer: a tool for displaying Hirshfeld surfaces and visualising intermolecular interactions in molecular crystals"
485:"CrystalExplorer: a program for Hirshfeld surface analysis, visualization and quantitative analysis of molecular crystals"
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to single-crystal reactions, analyzing the voids present in crystal, and structure-property relationships.
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435:"CrystalExplorer 2.1 - CrystalExplorer is a fully-featured molecular crystal visualization tool"
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Mackenzie, Campbell F.; Spackman, Peter R.; Jayatilaka, Dylan; Spackman, Mark A. (4 July 2017).
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Screenshot of generated
Hirshfeld surface in CrystalExplorer17
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List of quantum chemistry and solid-state physics software
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Spackman, Mark A.; Jayatilaka, Dylan (21 November 2008).
28:
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483:Spackman, P. R.; Spackman, M. A. (18 March 2021).
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162:CE is helpful to investigate different areas of
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215:, the effects of pressure and temperature on
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151:) is a freeware designed to analysis the
178:, effect of pressure and temperature on
979:List of protein-ligand docking software
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452:Arunkumar, Chellaiah (13 April 2014).
251:International Union of Crystallography
241:Cambridge Crystallographic Data Centre
124:free-of-charge (Conditions applicable)
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16:Crystal structure analysis software
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804:List of molecular graphics systems
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246:Crystallographic Information File
1639:Computational chemistry software
1038:Molecular Operating Environment
939:Molecular Operating Environment
631:Avalon Cheminformatics Toolkit
537:crystalexplorer.scb.uwa.edu.au
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470:10.1016/j.jfluchem.2014.04.002
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278:crystalexplorer.scb.uwa.edu.au
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533:"CrystalExplorer - Licensing"
458:Journal of Fluorine Chemistry
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1649:Chemistry software for Linux
305:"Hirshfeld surface analysis"
77:CrystalExplorer 21 / 2021
44:D Jayatilaka and MA Spackman
7:
274:"CrystalExplorer Main Page"
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209:intermolecular interactions
172:intermolecular interactions
54:; 17 years ago
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79:; 3 years ago
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1644:Crystallography software
441:. software.informer.com.
606:Computational chemistry
103:Windows 10/11 (64 bit)
439:software.informer.com
164:solid-state chemistry
489:J. Appl. Crystallogr
1543:JME Molecule Editor
792:Molecular modelling
205:CrystalExplorer 2.1
23:
1478:Skeletal structure
1052:Molecular dynamics
758:Chemical WorkBench
421:scholar.google.com
217:crystal structures
40:Original author(s)
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818:Ascalaph Designer
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346:(Pt 5): 575–587.
180:crystal structure
168:Hirshfeld surface
153:crystal structure
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1282:Quantum ESPRESSO
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543:on 7 March 2020
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284:on 7 March 2020
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1548:MarvinSketch
954:UCSF Chimera
924:MarvinSketch
640:Blue Obelisk
545:. Retrieved
541:the original
536:
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420:
402:: s90. 2006.
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309:CrystEngComm
308:
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286:. Retrieved
282:the original
277:
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213:polymorphism
204:
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176:polymorphism
161:
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144:
143:
113:MacOS 10.13+
18:
1525:BIOVIA Draw
1513:Proprietary
1374:GAMESS (US)
1369:GAMESS (UK)
1312:Proprietary
1099:Proprietary
1020:Proprietary
877:Proprietary
746:Proprietary
693:Chemicalize
680:Proprietary
1633:Categories
1538:ChemWindow
1529:ChemDoodle
1494:JChemPaint
1303:YAMBO code
1257:OpenMolcas
929:MarvinView
904:ChemWindow
665:Open Babel
257:References
170:analysis,
1615:OpenChrom
1504:XDrawChem
1499:Molsketch
1449:TURBOMOLE
1429:Quantemol
635:Bioclipse
547:31 August
464:: 16–22.
360:2052-2525
288:31 August
1578:EXC code
1533:ChemDraw
1444:TeraChem
1434:Scigress
1404:OpenAtom
1379:Gaussian
1272:PyQuante
1197:CONQUEST
1192:COLUMBUS
995:AutoDock
934:MODELLER
914:Gaussian
899:ChemDraw
843:Ghemical
823:Avogadro
753:Autochem
608:software
519:34188619
378:28932404
235:See also
166:such as
1619:SASHIMI
1589:Mercury
1480:drawing
1439:Spartan
1364:Firefly
1359:CRYSTAL
1284:(PWscf)
1252:Octopus
1232:MADNESS
1217:DP code
1178:(CFOUR)
1127:Desmond
1107:Abalone
1074:GROMACS
1005:FlexAID
949:Spartan
919:Maestro
884:Abalone
863:QuteMol
853:Molekel
838:Gabedit
778:Khimera
768:COSILAB
763:CHEMKIN
732:Cantera
510:8202033
369:5600021
226:Licence
193:History
129:Website
120:License
82: (
57: (
1610:Molden
1561:Others
1459:WIEN2k
1424:Q-Chem
1399:ONETEP
1394:MOLPRO
1389:MOLCAS
1384:Jaguar
1354:CRUNCH
1344:CASTEP
1339:CASINO
1334:CADPAC
1298:VB2000
1293:SIESTA
1262:PARSEC
1247:NWChem
1227:FreeON
1207:Dalton
1187:BigDFT
1182:AIMAll
1171:ABINIT
1132:GROMOS
1117:CHARMM
1089:PLUMED
1084:OpenMM
1079:LAMMPS
1033:LeDock
944:SAMSON
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670:RDKit
660:OELib
340:IUCrJ
157:*.cif
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1464:XMVB
1454:VASP
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1137:NAMD
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515:PMID
374:PMID
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