cone_edge(mol=None,
cone_obj=None,
res_name=' CON ' ,
res_num=None,
chain_id='
' ,
apex=None,
axis=None,
R=None,
scale=None,
inc=None,
distribution=' uniform ' )
| source code
|
Add a residue to the atomic data representing a cone of the given
angle.
A series of vectors totalling the number of increments and starting at
the origin are equally spaced around the cone axis. The atoms
representing neighbouring vectors will be directly bonded together. This
will generate an object representing the outer edge of a cone.
- Parameters:
mol (MolContainer instance) - The molecule container.
cone_obj (class instance) - The cone object. This should provide the limit_check() method
with determines the limits of the distribution accepting two
arguments, the polar angle phi and the azimuthal angle theta, and
return True if the point is in the limits or False if outside.
It should also provide the phi_max() method for returning the phi
value for the given theta.
res_name (str) - The residue name.
res_num (int) - The residue number.
chain_id (str) - The chain identifier.
apex (numpy array, len 3) - The apex of the cone.
axis (numpy array, len 3) - The central axis of the cone. If supplied, then this arg will be
used to construct the rotation matrix.
R (3x3 numpy array) - A 3x3 rotation matrix. If the axis arg supplied, then this
matrix will be ignored.
scale (float) - The scaling factor to stretch all points by.
inc (int) - The number of increments or number of vectors used to generate
the outer edge of the cone.
distribution (str) - The type of point distribution to use. This can be 'uniform' or
'regular'.
|