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Calculate descriptors (globularity, asphericity, acylindricity, anisotropy), from gyration tensor data extracted using the cpptraj tool.

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TensorAnalysis

Calculate descriptors (globularity, asphericity, acylindricity, anisotropy), from gyration tensor data extracted using the cpptraj tool. Not the most efficient way, but gets the job done.

To use:

python tensor.py -i <tensor.dat output>

To get the output tensor.dat file, in cpptraj:

radgyr out tensor.dat tensor

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Calculate descriptors (globularity, asphericity, acylindricity, anisotropy), from gyration tensor data extracted using the cpptraj tool.

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