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)

Generated on Tue Dec 7 19:12:36 2010 for BALL by  doxygen 1.5.9