OEAssignBondiVdWRadiiΒΆ
void OEAssignBondiVdWRadii(OEMolBase &mol)
Assigns radii to all atoms in the given OEMolBase
using calls
to OEGetBondiVdWRadius
.
The assigned radii of an OEAtomBase
can be accessed by
OEAtomBase.GetRadius
method.
See also
Atom Radius Functions section