OEMDLCorrectBondStereoΒΆ

bool OEMDLCorrectBondStereo(OEMolBase &mol)

This function tries to correct the wedge/hash bond assignment of the molecule, inverting or removing wedges and hashes from the connection table to avoid inconsistent or ambiguous stereochemistry assignment. This function requires that the molecule have 2D coordinates. See example in Figure: Example of using OEMDLCorrectBondStereo

../../_images/OEMDLCorrectBondStereo.png

Example of using OEMDLCorrectBondStereo: before (A) and after (B) calling the OEMDLCorrectBondStereo function