Showing 11 open source projects for "generator"

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  • 1
    oxDNA

    oxDNA

    A code primarily aimed at DNA and RNA coarse-grained simulations

    The oxDNA code has been moved to https://github.com/lorenzo-rovigatti/oxDNA, please go there for new releases.
    Downloads: 13 This Week
    Last Update:
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  • 2

    GECOOR

    Generator of armchair nanotubes with specific bond lengths and angles

    "GEnerator of atomic COORdinates for armchair nanotubes with specific bond lengths and angles. (gecoor) Gustavo Domínguez Rodríguez, Gabriel Iván Canto Santana, Jorge Alejandro Tapia Gonzalez, Cesar Alberto Cab Cauich A problem that arises when applying specific strain fields to nanostructures is knowing the atomic coordinate positions that produce the required structural parameters, such as bond lengths and angles.
    Downloads: 0 This Week
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  • 3

    ParamIT

    a Toolset for Molecular Mechanical Force Field Parameterization

    ...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

    E-Plater

    The firmware for the PIC18F2XK22 to do pulsed electroplating

    "E-plater" is a device that was specially developed by Engenharia Caseira (engenhariacaseira.com.br) to make pulsed and reversed pulsed electroplating (PED). Research shows that molecules on the surface of electrically deposited material using direct current are sometimes disorganized which can result in uneven surface and color. It is possible to control the composition and thickness of the deposited layer in an atomic order by configuring the amplitude and width of a pulse. The...
    Downloads: 0 This Week
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  • 5
    RMG - Reaction Mechanism Generator
    ...Please find the latest version written in Python at http://reactionmechanismgenerator.github.io To see the website o the old Java version of RMG, visit http://rmg.sourceforge.net RMG (Java version) is an automatic chemical reaction mechanism generator that constructs kinetic models composed of elementary chemical reaction steps using a general understanding of how molecules react (currently limited to C, H, O, and S atoms).
    Downloads: 3 This Week
    Last Update:
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  • 6
    Able Opus Elements

    Able Opus Elements

    An interactive periodic table of elements, with a Bohr Model generator

    The core of this program is a interactive periodic table of elements but also has a handful of goodies Including: A bohr model generator, a nice mix & match memory game, a nifty find dialog. The periodic table is built for quick lookup of basic info
    Downloads: 1 This Week
    Last Update:
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  • 7
    Bohr Model Generator

    Bohr Model Generator

    Generates highly configurable bohr models

    Generates highly configurable bohr models in any resolution for all elements. You can export all bohr models as a specific format in a click of a button. Requires .NET Framework 4.5
    Downloads: 4 This Week
    Last Update:
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  • 8

    peptide array generator

    small and smart peptide array generator, considering time complexity.

    small and smart peptide array generator, considering time complexity. commercial software is quite costful (500+ euros). this projects aims on creating an open source, free alternative to those software.
    Downloads: 0 This Week
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  • 9
    MIPGen

    MIPGen

    Simple Molecular Interaction Potential Generator in Python

    Molecular Interaction Potential Generator MIPGEN is a python program that will calculate Molecular Interaction Potential grids over a given molecule, that could be either a protein or a small organic compound (drug). The output will be a series of grids with DX format (*.dx) that the user will be able to visualize using any Molecular visualization program like VMD, PyMol, Chimera...
    Downloads: 0 This Week
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  • 10
    Tautomer generator is a program that generates a set of molecules (tautomers) from a molecular core and number of hydrogen atoms.
    Downloads: 0 This Week
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  • 11
    OBExtensions is a extension library for the chemoinformatics library Openbabel. It provides extensions to Openbabel, being mostly GUI widgets. OBExtensions has a 2D/3D viewer, 2D coordinates generator and some other extensions.
    Downloads: 4 This Week
    Last Update:
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