OE2DActiveSiteDisplay

class OE2DActiveSiteDisplay

This class represents OE2DActiveSiteDisplay that stores the depiction information (such as 2D coordinates, representation styles etc.) of an active site.

An active site display can be rendered into an image using the OEPrepareActiveSiteDepiction and OERenderActiveSite functions.

Code Example

Depicting Active Site Interactions example
Visualizing Protein-Ligand Interactions OpenEye Python Cookbook recipe

Constructors

OE2DActiveSiteDisplay(asite: OEInteractionHintContainer,
                      opts: OE2DActiveSiteDisplayOptions) -> OE2DActiveSiteDisplay

Initializes an OE2DActiveSiteDisplay object using the given display options.

asite: The active site for which display information is stored in the OE2DActiveSiteDisplay object.
opts: The OE2DActiveSiteDisplayOptions object that stores properties that determine the styles of the active site depiction.

Warning

An OE2DActiveSiteDisplay object does not make a copy of the OEInteractionHintContainer object from which it is initialized but only stores its pointer. Therefore, the user responsibility is to not let the interaction container object go out of scope, before the corresponding OE2DActiveSiteDisplay object.

GetDisplayedLigand

GetDisplayedLigand() -> OEGraphMol

Returns a pointer to the display ligand of the active site.

GetDisplayedResidues

GetDisplayedResidues(renderstyle: int = Default) -> OEResidueIter

Returns an iterator over the displayed residues of the given style.

renderstyle: This value has to be from the OEActiveSiteRenderStyle namespace.

GetHeight

GetHeight() -> float

Returns the height of the displayed active site.

GetOptions

GetOptions() -> OE2DActiveSiteDisplayOptions

Returns the options used to initialized the OE2DActiveSiteDisplay object.

GetWidth

GetWidth() -> float

IsValid

IsValid() -> bool

Returns whether the OE2DActiveSiteDisplay object was initialized successfully.

Hint

It is highly recommend to check whether an active site display is valid after initialization.