PdbResidue Class Reference

#include <Pdb.h>

List of all members.


Detailed Description

One residue in a protein or nucleic acid, or a single molecule in the case of non-polymer structures.

Public Member Functions

 PdbResidue (String name, PdbResidueId id)
 PdbResidue (const class Compound &compound, int residueNumber, const Transform &transform=Transform())
 PdbResidue (const State &state, const class Compound &compound, int residueNumber, const Transform &transform=Transform())
std::ostream & write (std::ostream &os, int &nextAtomSerialNumber, char chainId, const Transform &transform) const
bool hasAtom (SimTK::String argName) const
const PdbAtomgetAtom (String argName) const
PdbAtomupdAtom (String argName)
const PdbResidueIdgetResidueId () const
const char * getName () const
int getPdbResidueNumber () const
char getInsertionCode () const

Protected Member Functions

void parsePdbLine (const String &line)
void addAtom (const PdbAtom &atom)

Friends

class PdbChain

Constructor & Destructor Documentation

PdbResidue ( String  name,
PdbResidueId  id 
) [explicit]

PdbResidue ( const class Compound compound,
int  residueNumber,
const Transform transform = Transform() 
) [explicit]

PdbResidue ( const State state,
const class Compound compound,
int  residueNumber,
const Transform transform = Transform() 
) [explicit]


Member Function Documentation

std::ostream& write ( std::ostream &  os,
int &  nextAtomSerialNumber,
char  chainId,
const Transform transform 
) const

bool hasAtom ( SimTK::String  argName  )  const

const PdbAtom& getAtom ( String  argName  )  const

PdbAtom& updAtom ( String  argName  ) 

const PdbResidueId& getResidueId (  )  const [inline]

Referenced by PdbChain::appendResidue().

const char* getName (  )  const [inline]

int getPdbResidueNumber (  )  const [inline]

char getInsertionCode (  )  const [inline]

void parsePdbLine ( const String line  )  [protected]

void addAtom ( const PdbAtom atom  )  [protected]


Friends And Related Function Documentation

friend class PdbChain [friend]


The documentation for this class was generated from the following file:

Generated on Fri Sep 26 07:44:33 2008 for SimTKcore by  doxygen 1.5.6