article Open AccessTop 1% cited
<i>SUPERFLIP</i>– a computer program for the solution of crystal structures by charge flipping in arbitrary dimensions
Journal of Applied Crystallography · 2007 · Vol. 40(4) · pp. 786–790
Lukáš Palatinus✉(École Polytechnique Fédérale de Lausanne)G. Chapuis(École Polytechnique Fédérale de Lausanne)
Abstract
SUPERFLIP is a computer program that can solve crystal structures from diffraction data using the recently developed charge-flipping algorithm. It can solve periodic structures, incommensurately modulated structures and quasicrystals from X-ray and neutron diffraction data. Structure solution from powder diffraction data is supported by combining the charge-flipping algorithm with a histogram-matching procedure. SUPERFLIP is written in Fortran90 and is distributed as a source code and as precompiled binaries. It has been successfully compiled and tested on a variety of operating systems.
X-ray Diffraction in CrystallographyCrystallography and molecular interactionsCrystallization and Solubility StudiesCharge (physics)DiffractionSource codeMatching (statistics)Neutron diffractionPowder diffractionHistogramAlgorithmComputer programCode (set theory)
Funding
- National Science Foundation
- Schweizerischer Nationalfonds zur Förderung der Wissenschaftlichen Forschung
- Grantová Agentura České Republiky
Citations
4,170
FWCI
20.71
field-weighted impact
References
15
Percentile
100%
vs. same field & year
Citations per year
Cited by
Total pattern fitting for the combined size–strain–stress–texture determination in thin film diffraction
Nuclear Instruments and Methods in Physics Research Section B Beam Interactions with Materials and Atoms · 2009 · 1,100 citations
Synthesis and crystal chemistry of the hybrid perovskite (CH3NH3)PbI3 for solid-state sensitised solar cell applications
Journal of Materials Chemistry A · 2013 · 2,517 citations
Changing and challenging times for service crystallography
Chemical Science · 2011 · 446 citations
<i>EXPO2013</i>: a kit of tools for phasing crystal structures from powder data
Journal of Applied Crystallography · 2013 · 962 citations
<i>WinGX</i>and<i>ORTEP for Windows</i>: an update
Journal of Applied Crystallography · 2012 · 11,678 citations
<i>VESTA</i>: a three-dimensional visualization system for electronic and structural analysis
Journal of Applied Crystallography · 2008 · 6,414 citations
References
UCSF Chimera—A visualization system for exploratory research and analysis
Journal of Computational Chemistry · 2004 · 47,120 citations
<i>CRYSTALS</i>version 12: software for guided crystal structure analysis
Journal of Applied Crystallography · 2003 · 2,741 citations
Citation Network
How this paper connects to the literature. Drag to explore, click any node to open that paper.