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    iterative superposition · db9de49e
    Gabriel Studer authored
    After an initial superposition, subsets get built using a distance
    threshold. These subsets get superposed iteratively until a maximum
    number of iterations is reached or the transformation matrix
    between two superposition steps converges to the identity matrix.
    This procedure usually converges to the largest group of superposable
    atoms and is usefull for flexible domains. An example is the
    superposition of 1AKE and 4AKE.
    db9de49e
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    iterative superposition
    Gabriel Studer authored
    After an initial superposition, subsets get built using a distance
    threshold. These subsets get superposed iteratively until a maximum
    number of iterations is reached or the transformation matrix
    between two superposition steps converges to the identity matrix.
    This procedure usually converges to the largest group of superposable
    atoms and is usefull for flexible domains. An example is the
    superposition of 1AKE and 4AKE.
svd_superpose.cc 15.11 KiB