openfold.utils.superimposition

Functions

superimpose(reference, coords, mask)

Superimposes coordinates onto a reference by minimizing RMSD using SVD.
superimpose(reference, coords, mask)

Superimposes coordinates onto a reference by minimizing RMSD using SVD.

Parameters:

  • reference – [*, N, 3] reference tensor

  • coords – [*, N, 3] tensor

  • mask – [*, N] tensor

Returns:

A tuple of [, N, 3] superimposed coords and [] final RMSDs.