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Showing 8 open source projects for "chemistry"

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    vmdStore

    vmdStore

    vmdStore provides a user-friendly interface to free install VMD plugin

    vmdStore provides a user-friendly interface to free install VMD plugins. vmdStore also helps you keeping the plugins always updated. Minimum Requirements Operating System: macOS, Linux, or Windows Visual Molecular Dynamics (VMD) 1.9.3 or later
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    Downloads: 10 This Week
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  • 2

    ECTk

    ECTk - The electrochemical tool kit

    ECTk, the electrochemical tool kit, is a command line based application built on Tcl. It allows to define electrochemical experiments either interactively or via a script file sourced by ECTk. Virtually any potensiostat can be driven, the only condition being that the instrument has analogue inputs and outputs. ECTk is developed and maintained by the Electrocatalytic Green Engineering Group at Concordia University. ECTk communicates via any analogue IO board supported by the comedi...
    Downloads: 0 This Week
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  • 3

    WISP

    Weighted Implementation of Suboptimal Paths (WISP)

    UPDATE: LATEST VERSION AT http://git.durrantlab.com//jdurrant/wisp Allostery can occur by way of subtle cooperation among protein residues (e.g., amino acids) even in the absence of large conformational shifts. Dynamical network analysis has been used to model this cooperation, helping to computationally explain how binding to an allosteric site can impact the behavior of a primary site often many angstroms away. Traditionally, computational efforts have focused on the most optimal path...
    Downloads: 0 This Week
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  • 4
    ASCEND modelling environment
    ASCEND is a modelling environment and solver for large or small systems of non-linear equations, for use in engineering, thermodynamics, chemistry, physics, mathematics and biology. Solvers for both steady and dynamic (NLA & DAE) problems, are provid
    Downloads: 0 This Week
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  • 5
    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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  • 6
    NOSE is a package for simulation of linear and non-linear optical and infrared spectra, including absorption, fluorescence, circular dichroism, pump-probe, photon echo and other.
    Downloads: 0 This Week
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  • 7
    Given the chemical formula, MolWgt calculates the molecular weight of a substance.
    Downloads: 0 This Week
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  • 8
    ProtoFit is software for modeling the acid/base behavior of surfaces. The software is used for parameterizing surface protonation models and for visualization of potentiometric titration data.
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    Downloads: 2 This Week
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