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Showing 6 open source projects for "crystallography"

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  • 1
    Crystalsim - XRD hkl simulation

    Crystalsim - XRD hkl simulation

    X-ray diffraction (XRD) analysis for hkl simulation of any crystal.

    ...Crystallographic Information File (.cif) can also be used. Analyze both powder diffraction and single crystal data . Indexed at International Union of Crystallography (IUCR). Crystalline lattice parameters such as ‘a’, ‘b’, ‘c’ as well as interfacial angles such as alpha, beta, gamma can also be entered manually. Processed data can be saved as .csv file format. Designed by M Kanagasabapathy, Associate Professor, Department of Chemistry, Rajus' College, Affiliated to Madurai Kamaraj University Rajapalayam (TN) India email: rrcmks(at)gmail.com
    Downloads: 3 This Week
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  • 2
    Olex2 is visualisation software for small-molecule crystallography developed at Durham University/EPSRC. It provides comprehensive tools for crystallographic model manipulation for the end user and an extensible development framework for programmers. The project has been supported by Olexsys Ltd since 2010.
    6 Reviews
    Downloads: 0 This Week
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  • 3

    CIF2Cell

    Generating cells for electronic structure calculations from CIF files

    CIF2Cell is a tool to generate the geometrical setup for various electronic structure codes from a CIF (Crystallographic Information Framework) file. The program currently supports output for a number of popular electronic structure programs, including ABINIT, ASE, CASTEP, CP2K, CPMD, CRYSTAL09, Elk, EMTO, Exciting, Fleur, FHI-aims, Hutsepot, MOPAC, Quantum Espresso, RSPt, Siesta, SPR-KKR, VASP. Also exports some related formats like .coo, .cfg and .xyz-files. The program has been published...
    4 Reviews
    Downloads: 14 This Week
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  • 4
    X-ray diffraction data processing and visualization pipeline for Laue photo-crystallography
    Downloads: 0 This Week
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  • 5
    pyHKL is the interface to DENZO/SCALEPACK packages for X-ray crystallography data processing. It runs jobs remotely and aims at minimizing user input, by including automatic error model correction, rejection accumulation and mosaicity refinement.
    Downloads: 0 This Week
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  • 6
    cnsFace is a GUI for the Crystallography and NMR System.
    Downloads: 0 This Week
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