OEAssignPaulingVdWRadii

void OEAssignPaulingVdWRadii(OEMolBase &mol)

Assigns radii to all atoms in the given OEMolBase using calls to OEGetPaulingVdWRadius. The assigned radii of an OEAtomBase can be accessed by OEAtomBase.GetRadius method.

See also

• Atom Radius Functions section