# OEMakeComplexCavities¶

bool OEMakeComplexCavities(const OEChem::OEMolBase &mol1,
const OEChem::OEMolBase &mol2,
OESurface &surf,
float resolution=0.5f,
float probeRadius=1.4f)


Constructs a surface representing the volume between a ligand (mol1) and a macromolecule (mol2) that can accommodate a spherical probe with radius of probeRadius. The resolution of the grid used to construct the surface is specified by resolution. The surface is restricted to a 6 Angstrom envelope around mol1.