analyticalSES.h File Reference

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Namespaces
namespace	BALL
Functions
BALL_EXPORT float	BALL::calculateSESAtomAreas (const AtomContainer &fragment, HashMap< const Atom *, float > &atom_areas, float probe_radius=1.5)
BALL_EXPORT float	BALL::calculateSESArea (const AtomContainer &fragment, float probe_radius=1.5)
BALL_EXPORT float	BALL::calculateSESVolume (const AtomContainer &fragment, float probe_radius=1.5)