Search Results for "molecular visualization"

Showing 36 open source projects for "molecular visualization"

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  • 1
    Avogadro 2

    Avogadro 2

    Avogadro libraries provide 3D rendering, visualization, and analysis

    AvogadroLibs is the core C++ library behind Avogadro 2, an open-source molecular editor and visualization platform used in chemistry, materials science, and education. It provides the essential tools for constructing, analyzing, and visualizing molecular structures in 2D and 3D. Designed for extensibility, AvogadroLibs supports plugins for quantum chemistry computations, molecular mechanics, and surface rendering.
    Downloads: 44 This Week
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  • 2
    CGAL

    CGAL

    The Computational Geometry Algorithms Library

    CGAL or the Computational Geometry Algorithms Library is a C++ library that gives you easy access to a myriad of efficient and reliable geometric algorithms. These algorithms are useful in a wide range of applications, including computer aided design, robotics, molecular biology, medical imaging, geographic information systems and more. CGAL features a great range of data structures and algorithms, including Voronoi diagrams, cell complexes and polyhedra, triangulations, arrangements of...
    Downloads: 1 This Week
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  • 3
    Avogadro

    Avogadro

    An intuitive molecular editor and visualization tool

    Avogadro is an advanced molecular editor designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, materials science and related areas. It offers a flexible rendering framework and a powerful plugin architecture.
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    Downloads: 1,147 This Week
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  • 4
    Facyt-quimicomp
    Software and codes created in "Laboratorio de Química Computacional" of "Facultad de Ciencias y Tecnología" of "Universidad de Carabobo"
    Downloads: 6 This Week
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  • 5
    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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  • 6
    ShelXle

    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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    Downloads: 8 This Week
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  • 7

    QTPN

    Visualization, electronic structure and multicomponent calculations

    C/C++ code with GUI, supported on QT library for handling of windows and OpenGL/GLU for display of graphics. It is capable of dealing with plotting, electronic structure calculation and multicomponent calculations. Current version reads XYZ and deMon output files. Displays image of geometry, atomic orbitals, molecular orbitals, density and Fukui functions in a few different formats. In situ SCF Hartree-Fock calculations available.
    Downloads: 0 This Week
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  • 8
    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: 26 This Week
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  • 9
     VASPMO

    VASPMO

    Visualization of wavefunctions calculated by VASP (New release: v0.41)

    VASPMO aims at visualizing wavefunctions (or molecular orbitals) from VASP calculations. It reads VASP's output files PROCAR and CONTCAR, and exports an *.out file in Gaussian's output format, which can be visualized by many popular visualization tools, such as JMol, Molekel, Chemcraft, Gabedit and Molden, etc. These tools can further generate *.cube files, which can be visualized by an even wider range of softwares.
    Downloads: 2 This Week
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  • 10
    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.
    Downloads: 0 This Week
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  • 11
    CueMol

    CueMol

    CueMol - Molecular Visualization Framework

    CueMol - Molecular Visualization Framework based on OpenGL, Mozilla XULRunner, and javascript
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    Downloads: 0 This Week
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  • 12
    The SourceForge OpenRasMol project is an adjunct to the RasMol and OpenrasMol project at http://rasmol.org. It is hoped that the SourceForge OpenRasMol project will provide a convenient focal point for active collaborative contributions.
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    Downloads: 450 This Week
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  • 13

    irayMol

    Molecular visualization

    Analyses and Interactive visualizations of the structures, functions and actions of biomolecules including molecular surface computation, and protein-ligand interface and protein-ligand docking where the ligand could a small compound, a nucleic acid, membrane and other proteins, written in C++/Qt/openGL/GLSL with more than 125,000 lines of codes. In addition to Qt, the only external library needed is GSL everything else is coded from the scratch.
    Downloads: 0 This Week
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  • 14
    Tigris is an open source suite of classes and programs implemented in C++ for single particle electron microscopic image processing.
    Downloads: 0 This Week
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  • 15
    SPIW - Scanning Probe Image Wizard

    SPIW - Scanning Probe Image Wizard

    Scanning Probe Image Wizard - MATLAB Toolbox

    SPIW is a MATLAB toolbox, for automated processing of scanning probe microscope images. Tools are applicable to all SPM images, but the main focus is on images with atomic or molecular resolution. SPIW is primarily a MATLAB toolbox with functions designed to be called in a user's own script. SPIW also has a very basic GUI for browsing and exporting images. For information on SPIW's performance see our publication ( http://dx.doi.org/10.1063/1.4827076 ) in the Review of Scientific...
    Downloads: 0 This Week
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  • 16

    particlevis

    A particle simulation visualization program

    ParticleVis is a visualization tool specialized for loading and exploring particulate simulation data. It contains a set of features that enables powerful and useful visualizations of particle simulations to be quickly generated. Support is provided for visualization of hundreds of thousands of particles on commodity workstations, using OpenGL. Functionality includes data exploration, debugging of simulation output, and generation of presentation-quality imagery. The ability to visualize...
    Downloads: 0 This Week
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  • 17
    gMol

    gMol

    gMol molecular graphics

    We've moved to https://github.com/tjod/gMol/wiki gMol is an interactive visualization system used to display and manipulate 3-dimensional models of scientific data, such as molecular structures and surfaces. It contains both OpenGL and web browser widgets that enable flexible user interfaces.
    Downloads: 0 This Week
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  • 18
    MDT Simulation
    Magnetic Drug Targeting (MDT) simulation and visualization in traversal and longtitudinal mode.
    Downloads: 0 This Week
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  • 19
    Ascalaph Quantum
    is a molecular viewer & model builder for quantum chemistry programs. It has an interface with NWChem, CP2K and PC GAMESS/Firefly quantum programs. http://www.biomolecular-modeling.com/Products.html
    Downloads: 0 This Week
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  • 20

    QTASEP

    Visualization application for various TASEP, ASEP and SSEP models.

    Visualization of TASEP, ASEP, SSEP models with various update rules based on Zarja simulation library using QT GUI library.
    Downloads: 0 This Week
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  • 21
    chemkit is an open source software library for chemistry applications, particularly in the areas of cheminformatics, molecular visualization and molecular modeling.
    Downloads: 0 This Week
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  • 22
    cca-forum
    Cca-forum unifies the Common Component Architecture tools and tutorial. It includes the CCA specifications, the Ccaffeine framework for HPC, and related tools. These support multilanguage scientific and parallel computing.
    Downloads: 0 This Week
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  • 23
    Ascalaph Graphics
    Molecular Graphics and Dynamics. Molecular model builder. Part of the Ascalaph Designer http://sourceforge.net/projects/asc-designer/ project. Windows & Linux.
    Downloads: 0 This Week
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  • 24
    This tool is a free software tool for analyzing chemotactical or migration data.
    Downloads: 0 This Week
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  • 25
    QMGA is a Qt-based molecular graphics application for visualizing large ensembles of ellipsoids, spherocylinders or spheres. It is conceived for coarse-grained mesoscopic molecular simulation, but can be used for any kind of convex body systems.
    Downloads: 1 This Week
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