OERenderActiveSiteMapsΒΆ

Attention

PRELIMINARY-IMAGE This is a preliminary API until 2019.Oct and may be improved based on user feedback. It is currently available in C++ and Python.

bool OERenderActiveSiteMaps(OEDepict::OEImageBase &image,
                            const OEBio::OEInteractionHintContainer &asite)

Renders four protein-ligand maps (interaction, unpaired, b-factor and contact) into separate tabs of an image.

image
The image in which the active site is drawn.
asite
The OEInteractionHintContainer object that holds the data for the active site.

Note

This functionality is only available for .svg image format.

Example:

OEBio::OEInteractionHintContainer asite(receptor, ligand);
OEBio::OEPerceiveInteractionHints(asite);
OEPrepareActiveSiteDepiction(asite);

OEImage image(800.0, 600.0);

OERenderActiveSiteMaps(image, asite);
OEWriteImage("RenderActiveSiteMap.svg", image);

Example of using the OERenderActiveSiteMaps function

Code Example