Super: Rotation and translation
Hello, I've been using 'super' to align the c-alphas within one domain of two different models of the same protein while leaving the second domain to move freely. I can do this using: super (A and resid 1-100 and name ca), (B and resid 1-100 and name ca) What I would like to do is determine the rotation and translation of model B's second domain as it moves away from A's second domain. I can output a matrix after running super using: print cmd.get_object_matrix("A") How do I go from the matrix to an angle and distance? Thanks for any thoughts, Jon
Hi Jon, This will give you the rotation axis and angle: import scitbx.math r=( 0,0,1, 1,0,0, 0,1,0) from_matrix = scitbx.math.r3_rotation_axis_and_angle_from_matrix(r=r) print from_matrix.axis print from_matrix.angle(deg=True) Run with "phenix.python". Ralf
participants (2)
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J. Fleming
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Ralf W. Grosse-Kunstleve