pele.utils.pymolwrapper

pele.utils.pymolwrapper.draw_rigid()

Source

def draw_rigid(coords, model, frame, colour, bondslist=[], radius=0.5):

Use pymol to draw a system of rigid body fragments

Parameters:

colour: 3-tuple

RBG colour for the spheres being drawn.

bondslist: list of 2-tuples, optional

List of atom pairs between which bonds should be drawn.

pele.utils.pymolwrapper.draw_box()

Source

def draw_box(boxvec, model, frame):

Draw a box around the system to easily visualise periodic boundaries

Parameters:

boxvec: np.array

The dimensions of the periodic box