OERenderContactMap¶

bool OERenderContactMap(OEDepict::OEImageBase& image,
                        const OE2DActiveSiteDisplay& adisp);

Renders the protein-ligand contact map with residue toggle buttons. Clicking on any residue will highlight those ligand atoms that interact with the residue.

Note

This functionality is only available for .svg image format. In all other image formats it only depicts the residue circles.

The generated svg image should be included into and HTML page with the SVG MIME type.

<object data="<imagename>.svg" type="image/svg+xml"></object>

image: The image on which the contact map is rendered.
adisp: The OE2DActiveSiteDisplay object that holds the data necessary to depict the interactions of an active site.

The following code snippet shows how to use the OERenderContactMap function. The image created is shown in Figure: Example of using the OERenderContactMap function.

Example:

asite = oechem.OEInteractionHintContainer(protein, ligand)
oechem.OEPerceiveInteractionHints(asite)
oegrapheme.OEPrepareActiveSiteDepiction(asite)

image = oedepict.OEImage(800.0, 600.0)

opts = oegrapheme.OE2DActiveSiteDisplayOptions(image.GetWidth(), image.GetHeight())
adisp = oegrapheme.OE2DActiveSiteDisplay(asite, opts)

oegrapheme.OERenderContactMap(image, adisp)
oedepict.OEWriteImage("RenderContactMap.svg", image)

click on any residue circles

Example of using the OERenderContactMap function