RDKit::MolAlign::details Namespace Reference

Functions
RDKIT_MOLALIGN_EXPORT void	symmetrizeTerminalAtoms (RWMol &mol)

Function Documentation

symmetrizeTerminalAtoms()

RDKIT_MOLALIGN_EXPORT void RDKit::MolAlign::details::symmetrizeTerminalAtoms

(

RWMol &

mol

)

Converts terminal atoms in groups like nitro or carboxylate to be symmetry equivalent

References symmetrizeTerminalAtoms().

Referenced by symmetrizeTerminalAtoms().