Use of circular variance to quantify the deviation of a macromolecule from the spherical shape |
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Authors: | Mihaly Mezei |
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Affiliation: | 1.Department of Structural and Chemical Biology,Icahn School of Medicine at Mount Sinai,New York,USA |
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Abstract: | It is shown that the extent of deviation of a molecular shape from spherical can be characterized by comparing the distribution of the circular variances, a measure originally proposed to quantify angular spread, of the vectors from each atom to the rest of the molecule to the circular variance of a collection of atoms filling the unit sphere. Different measures for quantifying the difference between distribution are proposed and compared. |
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