newanalysis.helpers.applyRotationMatrix

newanalysis.helpers.applyRotationMatrix(coor, R)

calcRotationMatrix(coor,coorA,coorB)

Applies the Berthold-Horn-algorithm to a set of coordinates xyz, inplace.

Parameters:
  • atoms (coor .. coordinates of all) –

  • coordinates (coorA .. template) –

  • frame (coorB .. corresponding coordinates of the current) –