Showing 8 open source projects for "raman"

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  • 1
    Jmol

    Jmol

    An interactive viewer for three-dimensional chemical structures.

    Over 1,000,000 page views per month. Jmol/JSmol is a molecular viewer for 3D chemical structures that runs in four independent modes: an HTML5-only web application utilizing jQuery, a Java applet, a stand-alone Java program (Jmol.jar), and a "headless" server-side component (JmolData.jar). Jmol can read many file types, including PDB, CIF, SDF, MOL, PyMOL PSE files, and Spartan files, as well as output from Gaussian, GAMESS, MOPAC, VASP, CRYSTAL, CASTEP, QuantumEspresso, VMD, and many other...
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    Downloads: 559 This Week
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  • 2
    Raman Data Search and Storage

    Raman Data Search and Storage

    A Raman spectra library with search and storage function.

    ...Besides the search utility by the Raman band positions, which was proven to be priceless in the interpretation of Raman spectra, the RDSS software gives the user the ability to display and inspect the Raman spectra quickly and very efficiently. Users can zoom into the Raman spectrum, shift in any direction the wavenumber and the intensity axes, and if any part of the spectral display is clicked, that region will be highlighted and the specific wavenumber returned. ...
    Downloads: 1 This Week
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  • 3
    Argo

    Argo

    ARGO is a program for analysis of electronic structure calculations

    The `Argo' program draws its name from ancient Greek, referencing the vessel of the same name commissioned for Jason's renowned Argonauts expedition. This choice symbolizes the pursuit of making the best use of quantum chemical calculation results. ARGO facilitates the analysis of results obtained from quantum chemistry codes, specifically Gaussian. This task is achieved through a set of Python scripts. Our code is freely available throughout the academic community with the ambition to...
    Downloads: 0 This Week
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  • 4
    jSulfoQuant

    jSulfoQuant

    Sb/(Sb+As) content ratio determination of the sulfosalts minerals

    A computer program for a fast and accurate determination of Sb/(Sb+As) content ratio in the tetrahedrite-tennantite and bournonite-seligmannite solid solution series by at least one spectral parameter (band position or relative intensity) of their Raman spectra.
    Downloads: 0 This Week
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  • 5
    PyVib2 is a program for analyzing vibrational motion and vibrational spectra. It is an open source "all-in-one" solution for scientists working in the field of vibrational spectroscopy (Raman and IR) and vibrational optical activity (ROA and VCD).
    Downloads: 2 This Week
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  • 6
    Depolarization analysis tools

    Depolarization analysis tools

    Tools for the accurate analysis of Raman depolarization measurement

    This programme addresses the notoriously difficult problem to quantitatively link measured Raman depolarization values to theoretical polarizability tensor quantities, since quantum calculations do not incorporate experimental parameters. A numerical model is programme to calculate, for realistic experimental configurations, effective Raman line strength functions, which find their way into depolarization ratios. The model is based on interlinked integrations over the angles in the light collection path, and a finite Raman source volume along the excitation laser beam. ...
    Downloads: 0 This Week
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  • 7

    Analytical Information Markup Language

    Open XML format for analytical chemistry and biology data.

    This project supports ASTM E13.15 "Analytical Data Magement" in its work defining AnIML, an XML standard for representing, managing and interchanging analytical chemistry and biology data.
    Downloads: 0 This Week
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  • 8
    PyDespike is a cross platform (Windows, Mac, Linux) program written in Python using the PyQt and PyQwt libraries used to graphically process (despike) raman or other spectroscopic data in an efficient manner.
    Downloads: 0 This Week
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