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