BALL 1.5.0
Loading...
Searching...
No Matches
analyticalSES.h File Reference
#include <BALL/common.h>

Go to the source code of this file.

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)