NMRDescriptors.h File Reference

#include <BALL/common.h>
#include <BALL/DATATYPE/hashMap.h>
#include <BALL/KERNEL/residue.h>
#include <BALL/KERNEL/protein.h>
#include <BALL/KERNEL/atomContainer.h>

Go to the source code of this file.

Namespaces
namespace	BALL

Functions
BALL_EXPORT void	BALL::calculateResidueChiAngles (const Protein &protein, HashMap< const Residue *, float > &residue_angles)
BALL_EXPORT void	BALL::calculateResidueChiAngles (const Chain &fragment, HashMap< const Residue *, float > &residue_angles)
BALL_EXPORT float	BALL::calculateResidueChiAngles (const Residue &residue)
BALL_EXPORT void	BALL::calculateResidueChi2Angles (const Protein &protein, HashMap< const Residue *, float > &residue_angles)
BALL_EXPORT void	BALL::calculateResidueChi2Angles (const Chain &fragment, HashMap< const Residue *, float > &residue_angles)
BALL_EXPORT float	BALL::calculateResidueChi2Angles (const Residue &residue)