OEPrepareDepictionFrom3DΒΆ

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
../../_images/DrawMoleculeFrom3D.png ../../_images/DrawMoleculeFrom2D.png