create_rotor_pdb(file=None,
dir=None,
rotor_angle=None,
axis=None,
axis_pt=True,
centre=None,
span=2e-09,
blade_length=5e-10,
force=False,
staggered=False)
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Create a PDB representation of a rotor motional model.
- Parameters:
file (str) - The name of the PDB file to create.
dir (str) - The name of the directory to place the PDB file into.
rotor_angle (float) - The angle of the rotor motion in degrees.
axis (numpy rank-1, 3D array) - The vector defining the rotor axis.
axis_pt (numpy rank-1, 3D array) - A point lying anywhere on the rotor axis. This is used to define
the position of the axis in 3D space.
centre (numpy rank-1, 3D array) - The central point of the representation. If this point is not on
the rotor axis, then the closest point on the axis will be used
for the centre.
span (float) - The distance from the central point to the rotor blades (meters).
blade_length (float) - The length of the representative rotor blades.
force (bool) - A flag which if set will overwrite any pre-existing file.
staggered (bool) - A flag which if True will cause the rotor blades to be staggered.
This is used to avoid blade overlap.
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