schrodinger.graphics3d.gridbox module

Module for drawing a grid box to the Workspace.

class schrodinger.graphics3d.gridbox.GridBox(center=(0.0, 0.0, 0.0), inner_box_size=(10.0, 10.0, 10.0), outer_box_size=(30.0, 30.0, 30.0), display_center_box=True, display_enclosing_box=True)

Bases: object

Class for drawing a grid box to the Workspace.

__init__(center=(0.0, 0.0, 0.0), inner_box_size=(10.0, 10.0, 10.0), outer_box_size=(30.0, 30.0, 30.0), display_center_box=True, display_enclosing_box=True)

Create an instance of the grid box, hidden initially. Call the show() method to display the box. The box parameters can be modified by setting the object’s attributes with same names as the arguments to this init method - the box will be automatically re-drawn.

Parameters

  • center ((float, float, float)) – Center coordinates of the box.

  • inner_box_size ((float, float, float)) – Inner box size. Defaults to 10 in all dimensions. Typical range is 6-40A.

  • outer_box_size ((float, float, float)) – Outer box size. Defaults to 30 in all dimensions. Usually set to inner_box_size + maximum ligand length.

  • display_center_box (bool) – Whether to show the center (inner) box.

  • display_enclosing_box (bool) – Whether to show the outer grid box.

isShown()
Return type

bool

Returns

Whether the grid box is currently shown.

hide()

Hide the grid box (don’t draw to the Workspace).

show()

Show the grid box.