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

See also

• OEDrawBFactorMapLegend function

• OERenderActiveSite function

• OERenderActiveSiteMaps function

• OERenderContactMap function

• OERenderUnpairedInteractionMap function

Code Example

• Visualizing Protein-Ligand B-Factor OpenEye Python Cookbook example

• Visualizing Protein-Ligand B-Factor Map OpenEye Python Cookbook example