Showing 20 open source projects for "ms-sql"

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  • 1
    The Sashimi project hosts the Trans-Proteomic Pipeline (TPP), a mature suite of tools for mass-spec (MS, MS/MS) based proteomics: statistical validation, quantitation, visualization, and converters from raw MS data to the open mzML/mzXML formats.
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    Downloads: 47 This Week
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  • 2
    luscus

    luscus

    molecular editor and viewer

    Luscus is the program for graphical display and editing of molecular systems. The program allows fast and easy building and/or editing different molecular structures, up to several thousands of atoms large. Luscus can also visualize dipole moments, normal modes, molecular orbitals, electron densities and electrostatic potentials. In addition, simple geometrical objects can be rendered in order to point out a geometrical feature or a physical quantity. The program is developed as a graphical...
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    Downloads: 6 This Week
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  • 3
    Kekule

    Kekule

    Kekule is a molecular visualization app for the 64-bit Windows

    Kekule is a fork of Roger Sayle's old 16-bit Windows 3.1 RasMol 2.6 app, last updated and released in 1995. Kekule is meant to aid high school and college chemistry students in their organic and inorganic chemistry studies by allowing you to visualize molecules in 3 dimensions on your laptops. This will greatly increase a chemistry student's understanding of molecules and their structures.
    Downloads: 0 This Week
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  • 4
    Charmol

    Charmol

    Program for molecular graphics

    Charmol is a cross-platform GUI/command-line based program for making high-quality pictures of molecular structures, nowadays working on Linux, MacOS and Windows. As output, it produces POV-Ray rendered images or files in VRML format. Charmol is capable of making pictures containing: - from small- to large-size molecules - more molecules together (different settings possible) - orbitals using molden and fchk files (GTO functions up to 'h' angular momentum supported) -...
    Downloads: 1 This Week
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  • 5
    mzMatch is a Java collection of small commandline tools specific for metabolomics MS data analysis. The tools are built on top of the PeakML core library, providing mass spectrometry specific functionality and access to the PeakML file format.
    Downloads: 2 This Week
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  • 6
    MSGraph is a program designed for the interactive, fast, qualitative analysis of mass spectrometric (MS) data. It is a tool to provide fast and simple access to all the information contained in an LC/MS analysis run.
    Downloads: 0 This Week
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  • 7
    The Analyses Database is a collection of software to archive and to track rawdata files from analytical instruments. The system is set up using freely accessible tools - MySQL, apache, PHP, Linux. Several utilities for MS Windows are provided.
    Downloads: 0 This Week
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  • 8
    cdfread is a program for people wirking with mass spectrometry datasets. cdfread implements the routines to read mass spectra and mass chromatograms from data files in netCDF ("Andi-MS") format. Centroid and profile data are supported.
    Downloads: 0 This Week
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  • 9
    Gabedit is a Graphical User Interface for FireFly (PC-Gamess), Gamess-US, Gaussian, Molcas, Molpro, MPQC, NWChem, OpenMopac, Orca, PSI4 and Q-Chem computational chemistry packages.
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    Downloads: 87 This Week
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  • 10
    ECOMAC
    The ECOMAC is win32 application used for acquisition and control of chromatographic process, communication with chromatographic devices and storing data for next evaluation. It is written in C. The registration code is needed for full features.
    Downloads: 0 This Week
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  • 11
    Gecko Hamaker

    Gecko Hamaker

    Calculates Hamaker coefficient,interaction free energy,force,torque.

    The Gecko Hamaker open-source software project is a full implementation of the fully retarded Lifshitz formulations for isotropic and anisotropic plane-plane and cylinder-cylinder interactions with intervening interlayer materials, planar systems of up to 99 layers, and graded interfaces for the modeling of grain boundaries or other continuously changing systems, accompanied by a database of material optical properties spectra. The machine-readable optical property database is available...
    Downloads: 3 This Week
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  • 12

    grcarma

    A Tk frontend to MD trajectories analysis program carma

    Downloads: 0 This Week
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  • 13
    Hy3S uses advanced MPI parallelized hybrid stochastic simulation methods to quickly compute the dynamics of biochemical networks with thousands of species/reactions. Many features included (see Home Page). An easy-to-use GUI (Matlab req) is included.
    Downloads: 0 This Week
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  • 14

    STT simulador para trocadores tubulares

    STT - Simulador para trocadores tubulares utilizando o método Kern

    STT - Simulador para Trocadores Tubulares Simulador para trocadores de calor dos tipos: bitubular e casco e tubos. O software utiliza o método Kern para cálculo de trocadores de calor, possui base de dados atualizável para as propriedades dos fluidos e dimensões dos tubos, facilitando o uso e minimizando a entrada de dados. O STT trabalha no sistema de unidades internacional e no sistema inglês e possui interface para sistema operacional Windows (XP, 7, Vista)
    Downloads: 5 This Week
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  • 15
    The Xtal System is a comprehensive suite of small molecule structural solution, refinement and analysis software, supporting both X-ray, neutron and electron diffraction data. It runs on both Unix and MS Win32 platforms and uses tcl/tk graphics.
    Downloads: 0 This Week
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  • 16
    Framework for uncertainty propagation in predictive models targeted for collaborative science
    Downloads: 0 This Week
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  • 17
    IFEFFIT is a library and set of interactive programs for the analysis of x-ray absorption fine-structure (XAFS) data. IFEFFIT combines state-of-the-art analysis algorithms with graphical display of XAFS data, and general data manipulation. It can be
    Downloads: 8 This Week
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  • 18
    RasTop is a molecular graphics program intended for the visualisation of proteins, nucleic acids and small molecules based on the popular Rasmol software. The program is aimed at the rapid visualization and analysis of molecules.
    Downloads: 11 This Week
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  • 19
    EasyChem is designed to draw chemical molecules in an intuitive way, with a very high quality (designed for book-publishing). Exporting is done to various formats (PostScript, Fig, LaTeX, etc.) to help you integrate your drawing in any software you use.
    Downloads: 0 This Week
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  • 20
    Beer Wizard is the possibly temporary title for a piece of software being developed for members of the Craft Beer community.
    Downloads: 0 This Week
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