PProteinResidue Class Reference

#include <PProteinResidue.h>

Inheritance diagram for PProteinResidue:

PResidue List of all members.

Detailed Description

This class represents a residue within PProtein, so it makes assumptions on the contents within. More specifically, this residue has a backbone and sidechain and depends on the configuration data provided with LoopTK. Do not create PProteinResidue directly - use PProtein::AddResidue instead. See PResidue, the superclass, for more operations.


Public Member Functions

 PProteinResidue (PProtein *loop, const string &shellName)
 PProteinResidue (PProtein *loop, const string &shellName, PResidueSpec &spec)
 PProteinResidue (PProtein *loop, const string &shellName, PResidue *toConnect)
 PProteinResidue (PProtein *loop, const string &shellName, PResidueSpec &spec, PResidue *toConnect)
PProteinResidueNextResidue ()
PProteinResiduePreviousResidue ()
PProteingetProtein ()
void ResetSideChain ()
bool ApplyRotamer ()
bool ApplyRotamer (int index)
void SaveSideChain ()
Real GetPhi ()
Real GetPsi ()
void SetChi (Real chi, int index)
Real GetChi (int index)


Constructor & Destructor Documentation

PProteinResidue::PProteinResidue ( PProtein loop,
const string &  shellName 
) [inline]

PProteinResidue::PProteinResidue ( PProtein loop,
const string &  shellName,
PResidueSpec spec 
) [inline]

PProteinResidue::PProteinResidue ( PProtein loop,
const string &  shellName,
PResidue toConnect 
) [inline]

PProteinResidue::PProteinResidue ( PProtein loop,
const string &  shellName,
PResidueSpec spec,
PResidue toConnect 
) [inline]


Member Function Documentation

PProteinResidue* PProteinResidue::NextResidue (  )  [inline]

Returns the next residue in the protein chain or NULL if this is the last residue.

PProteinResidue* PProteinResidue::PreviousResidue (  )  [inline]

Returns the previous residue in the protein chain or NULL if this is the first residue.

PProtein* PProteinResidue::getProtein (  )  [inline]

Returns the protein which directly owns this residue (the lowest subchain in the protein heirarchy.

void PProteinResidue::ResetSideChain (  ) 

Resets the side chain position to saved position. Use SaveSideChain() to save position.

bool PProteinResidue::ApplyRotamer (  ) 

Cycles through collision free rotamers.

bool PProteinResidue::ApplyRotamer ( int  index  ) 

Apply a specific rotamer.

void PProteinResidue::SaveSideChain (  ) 

Save the current side chain position. Use ResetSideChain() to apply saved position.

Real PProteinResidue::GetPhi (  ) 

Returns the current Phi angle of the residue.

Real PProteinResidue::GetPsi (  ) 

Returns the current Psi angle of the residue.

void PProteinResidue::SetChi ( Real  chi,
int  index 
)

Sets the indexed Chi angle of the side chain in degrees.

Real PProteinResidue::GetChi ( int  index  ) 

Returns the indexed Chi angle of the side chain.


The documentation for this class was generated from the following files:
Generated on Tue Aug 26 16:06:15 2008 for LoopTK: Protein Loop Kinematic Toolkit by  doxygen 1.5.1