Showing 5 open source projects for "graphical programs"

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  • 1
    ED Software project contains several programs used (mostly) for processing gas-phase electron diffraction (GED) experimental data.
    Downloads: 0 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.
    Downloads: 0 This Week
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  • 3

    ParamIT

    a Toolset for Molecular Mechanical Force Field Parameterization

    ParamIT is a toolkit aiding the development of molecular mechanical force field parameterization of small, drag like, molecules within CHARMM general force field (CGenFF) protocol. The developed toolkit helps the researchers in following ways: 1) automating the creation of multiple input files for quantum and molecular mechanics programs, 2) automating the output analysis and 3) substitute the use of full MM programs with a faster specialized one. The developed tools include: 1) generator of molecule-water complexes with graphical user interface (GUI), 2) semi-automatic frequency analysis using symbolic potential energy distribution matrix and comparison of optimized internal coordinates, 3) GUI for charge fitting with three modes: manual, Monte-Carlo sampling or brute force, and 4) GUI for dihedral terms fitting. ...
    Downloads: 0 This Week
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  • 4
    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: 15 This Week
    Last Update:
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  • Runn is a modern resource and capacity planning platform that gets remote teams on the same page. Icon
    Runn is a modern resource and capacity planning platform that gets remote teams on the same page.

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  • 5
    Viewmol is a graphical front end for computational chemistry programs. It is able to graphically aid in the generation of molecular structures for computations and to visualize their results.
    Downloads: 1 This Week
    Last Update:
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