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Py-rmsd
Jul 20, 2023
Calculate root-mean-square deviation (RMSD) between coordinate sets
Calculate Root-mean-square deviation RMSD of Two Molecules Using Rotation.
The root-mean-square deviation RMSD is calculated, using Kabsch algorithm 1976 or Quaternion algorithm 1991 for rotation, between two Cartesian coordinates in either .xyz or .pdb format, resulting in the minimal RMSD.
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