analyticalSES.h File Reference

#include <BALL/common.h>

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Classes
class	BALL::HashMap< Key, T >
	HashMap class based on the STL map (containing serveral convenience functions) More...

Namespaces
	BALL
	-*- Mode: C++; tab-width: 2; -*-

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)