Search Results for "cryst"
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Showing 5 open source projects for "cryst"
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ShelXle
ShelXle is a Qt GUI for SHELXL
ShelXle combines an editor with syntax highlighting for the SHELXL-associated .ins (input) and .res (output) files with an interactive graphical display for visualization of a three-dimensional structure including the electron density (Fo) and difference density (Fo-Fc) maps. See J. Appl. Cryst. (2011). 44, 1281–1284. for details. -
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computem
Transmission Electron Microscope Image Simulation
These programs calculate high resolution conventional and scanning transmission electron microscope (CTEM, STEM) images of thin specimens from first principles using the multislice method for electrons in the energy range of approximately 60 keV to 1000 keV. The fundamental theory and usage are described in "Advanced Computing in Electron Microscopy" (Springer 2020) and Acta Cryst. A72 (2016) p. 1 by Earl J. Kirkland. Please refer to these for the theory of calculation and how to use these programs. computem uses a GUI and the temsim group uses a command line interface. The user is assumed to have some understanding of optics, Fourier transforms, electron microscopy and computer skills at the graduate or advanced undergraduate level. ... -
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Iterate is an implementation of the Bravais-lattice-finding algorithm from: Andrews and Bernstein, Acta Cryst. (1988). A44, 1009-1018 Lattices and Reduced Cells as Points in 6-Space and Selection of Bravais Lattice Type by Projections.
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A Suite of Programs implementing a fast approach to the Debye Function Analysis (DFA) of powder diffraction data from nanocrystalline and/or non-ordered materials. See J. Appl. Cryst. 2015, 48, 2026-2032
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datasw
datasw, a tool for rapid processing of HPLC-SAXS data.
...Applications of DATASW are illustrated for several proteins with various oligomerization behaviors recorded at different beamlines. If you use DATASW in your work, please, cite: Shkumatov A.V. & Strelkov S.V. (2015) Acta Cryst. D71, 1347–1350
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