OEDrawResidues

bool OEDrawResidues(OEDepict::OEImageBase& image,
                    const OEChem::OEMolBase& mol,
                    const bool interactive = false)

The OEDrawResidues function depicts the residue graph of a molecule with up to 300 heavy atoms. It is recommended to use when a molecule is imported from a PDB file that automatically assigns residues (OEResidue) to each atom.

image: The image on which the molecule is drawn.
mol: The molecule being depicted.
interactive: The parameter that determines whether the generated image will be interactive (only available for SVG` images) revealing the residue on mouse hover.

Note

The OEDrawResidues does not support visualizing large proteins. The number of heavy atoms is limited to 250.

Example:

The following code snippet shows how to use the OEDrawResidues function to generate an interactive SVG image. The image created is shown in Figure: Example of using the OEDrawResidues function. If the molecule has no residue information, if the OEHasResidues function returns false, then a warning will be throw and no image will be generated.

OEImage image(400, 250);

const auto interactive = true;
OEDrawResidues(image, mol, interactive);
OEWriteImage("DrawResidues.svg", image);

The OEDrawResidues function allows the visualization of nonstandard amino acids. Nonstandard amino acid residues are represented with a black jagged circle with the residue labels shown at the center.

hover mouse over any residue circles

Example of using the OEDrawResidues function to generate an interactive SVG image

Note

This interactive functionality is only available for .svg image format.

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>