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Class for least-squares structural superposition. Uses a quaternion method which avoids improper rotations.
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SuperpositionResults Returns the results of a superposition. |
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Create a rotation matrix from q quaternion rotation. Quaternions are typed as Numeric Python arrays of length 4. |
Superimpose two homologous protein chains. The argument alist is a list of 2-tuples. The 2-tuples are the 1:1 atoms to superimpose. The alignment procedure incrementally omits atoms with large deviations until the rmsd of the least squares superposition is less than or equal to rmsd_cutoff, or the number of cycles exceeds max_cycles. |
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