Translation is specified by a translation vector translation and is done first.
Rotation is specified by a rotation matrix rotation_matrix that is given as a vector of 9 elements (three rows times three columns), with column index running first: . The rotation matrix pre-multiplies the Cartesian coordinate vectors. The matrix corresponds to the view matrix of QUANTA and to the rotation matrix of MOLSCRIPT.
The second kind of rotation is specified by a screw transformation, given by the rotation_axis axis and rotation_angle rotation around the axis (in degrees). This is done last.
If only some transformations are desired, set the other values to 0.
# Example for: model.rotate() # This will orient a model as specified (no change in this example): # Read the structure and transform it: env = environ() mdl = model(env, file='1fas') mdl.rotate(translation=(0, 0, 0), rotation_matrix=(1, 0, 0, 0, 1, 0, 0, 0, 1), rotation_angle=0, rotation_axis=(1, 1, 1)) mdl.write(file='1fas.ini')