OEDrawMonomerGraph

Attention

This is a preliminary API and may be improved based on user feedback. It is currently available in C++ and Python.

OEDrawMonomerGraph(image: OEImageBase,
                   mol: Union[OEGraphMol,OEMol,OEQMol]) -> bool
OEDrawMonomerGraph(image: OEImageBase,
                   mol: Union[OEGraphMol,OEMol,OEQMol],
                   opts: OEMonomerGraphDisplayOptions) -> bool

The OEDrawMonomerGraph function is designed to depict the monomer graph of a molecule initialized from a HELM string.

image: The image on which the molecule is drawn.
mol: The molecule being depicted.
opts: The OEMonomerGraphDisplayOptions object that stores properties that determine the styles of the molecule depiction.

Example:

monomers = oechem.OEMonomerSet()
oechem.OELoadOpenEyeMonomerSet(monomers)

mol = oechem.OEGraphMol()
helm = "PEPTIDE1{[N1[C@@H](CCC1=O)C([R2])=O].P.S.K.D.A.F.I.G.L.M.[am]}$$$$"

oechem.OEHelmToMol(mol, helm, monomers)

image =  oedepict.OEImage(800, 400)
opts = oegrapheme.OEMonomerGraphDisplayOptions()
opts.SetInteractiveEffect(oedepict.OEInteractiveEffect_Hover)

oegrapheme.OEDrawMonomerGraph(image, mol, opts)
oedepict.OEDrawCurvedBorder(image, oedepict.OELightGreyPen, 10)
oedepict.OEWriteImage("DrawMonomerGraph.svg", image)

hover cursor over graph

Example of using the OEDrawMonomerGraph function