Showing 4 open source projects for "free domain script"

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    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: 720 This Week
    Last Update:
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  • 2
    relax

    relax

    Molecular dynamics by NMR data analysis

    ...It supports exponential curve fitting for the calculation of the R1 and R2 relaxation rates, calculation of the NOE, reduced spectral density mapping, the Lipari and Szabo model-free analysis, study of domain motions via the N-state model and frame order dynamics theories using anisotropic NMR parameters such as RDCs and PCSs, the investigation of stereochemistry in dynamic ensembles, and the analysis of relaxation dispersion data.
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    Downloads: 7 This Week
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  • 3

    nwhess2freq

    Calculates frequencies/modes from an nwchem generated hessian

    This is a simple Octave script which calculates the frequencies/normal modes from an nwchem generated hessian matrix. The advantage of having a separate script for this is that you can use the same hessian to calculate frequencies for different isotopic substitutions i.e. you only have to run one nwchem calculation. The script is finished in its current form in the sense that it is feature complete.
    Downloads: 0 This Week
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  • 4
    An open source, free DIY biotech/biohacking bootstrapping kit. Genetic engineering/therapy, BioBricks, synthetic biology - schematics, tutorials, etc.
    Downloads: 0 This Week
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