BALL  1.5.0
Namespaces | Functions
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>

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Namespaces

 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)