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: ROTATE_MODEL # This will orient a model as specified (no change in this example): # Read the structure and transform it: READ_MODEL FILE = '1fas' ROTATE_MODEL TRANSLATION = 0 0 0, ROTATION_MATRIX = 1 0 0 ; 0 1 0 ; 0 0 1,; ROTATION_ANGLE = 0, ROTATION_AXIS = 1 1 1 WRITE_MODEL FILE = '1fas.ini'