OEOverlapRadiiΒΆ
This namespace controls how radii of atoms should be handled by the
Shape TK when doing calculations. The default value of using
the carbon radii approximation,
OEOverlapRadii_Carbon, was found to have the
best performance in virtual screening experiments.
Carbon
Treat all atoms, as carbon, with the same radius.
All
Use the radius of the atom as returned by
OEAtomBase.GetRadius.
Default
The default approximation is
OEOverlapRadii_Carbon, to treat all atoms
as carbon.
Max
The largest numerical value that can be contained in this namespace. Useful for being able to iterate over all the constants in this namespace.