OEGenerate2DCoordinatesΒΆ

bool OEGenerate2DCoordinates(OEMolBase &mol);

Assigns 2D coordinates to the given OEMolBase object. The coordinates of each explicit atom are assigned using the OEMolBase::SetCoords method. This function automatically set the dimensionality of the molecule to two, using the OEMolBase::SetDimension method.

Note

OEGenerate2DCoordinates is a low-level function that only generates 2D coordinates but does not perform any other perceptions.

OEGenerate2DCoordinates will clear MDL bond stereo information that can be re-perceived by calling the OEMDLPerceiveBondStereo function.

See also

OEInit2DRingDictionary function