OERenderBFactorMap

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

Renders the B-factor information of an active site display into an image.

image

The image in which the active site is drawn.

adisp

The OE2DActiveSiteDisplay object that holds the data necessary to depict the B-Factor information of an active site.

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())
opts.SetRenderInteractiveLegend(True)
adisp = oegrapheme.OE2DActiveSiteDisplay(asite, opts)

oegrapheme.OERenderBFactorMap(image, adisp)
oedepict.OEWriteImage("RenderBFactorMap.svg", image)

hover mouse over any residue circles

Example of using the OERenderBfactorMap function

../../_images/RenderBFactorMap.svg

Code Example