OEPrepareDepictionFrom3D¶

bool OEPrepareDepictionFrom3D(OEChem::OEMolBase &mol, bool suppressH=true)

Takes a 3D molecule and generates its 2D coordinates. The layout and orientation of the 2D coordinates are driven by the 3D coordinates.

mol: The 3D molecule for which 2D coordinates are generated.
suppressH: If true, then explicit hydrogens are suppressed in the input molecule. Only hydrogens that are necessary to faithfully represent tetrahedral stereochemistry will be kept.

bool OEPrepareDepictionFrom3D(OEChem::OEMolBase &mol, const OEDepictionFrom3DOptions &opts)

Takes a 3D molecule and generates its 2D coordinates using the given options. The layout and orientation of the 2D coordinates are driven by the 3D coordinates.

mol: The 3D molecule for which 2D coordinates are generated.
opts: The OEDepictionFrom3DOptions object that stores options controlling the generation of 2D coordinates.

See the 2D molecule depictions in Table: 2D representation of the 3D molecule and the corresponding 3D molecule in Figure: Example of 3D molecule displayed in VIDA.

../../_images/OEPrepareDepictionFrom3D-VIDA.png

Example of 3D molecule displayed in VIDA¶

**2D representation of the 3D molecule**¶
OEPrepareDepictionFrom3D	OEPrepareDepiction