phoenix::Residue Class Reference

Residue Class This is a container to group atoms in small organising units. It has a parent Chain, a residue type (class RT) and a AtomList with all atoms of the residue. It can also have a name and a id. More...

#include <residue.hpp>

List of all members.

Public Member Functions

ChainKey Parent () const
 returns the parent chain of the residue
RT Type () const
 returns the residue type of the residue
void Type (RT rt)
 sets the residue type of the residue
AtomList Atoms () const
 returns the atoms of the residue
string Name () const
 returns the name of the residue
void Name (string n)
 sets the name of the residue
unsigned int Id () const
 returns the id of the residue
void Id (unsigned int i)
 sets the id of the residue
bool Valid () const
 returns a validation flag, only with -DDEBUG

Friends

ResidueKey rCreate (ChainKey p, RT rt)
 Create a new residue.
void rDelete (ResidueKey k)
 Delete a residue.
AtomKey aCreate (ResidueKey p, ELE e, Vec3_t c, GEO g)
 Create a new atom.
void aDelete (AtomKey k)
 Delete an atom.


Detailed Description

Residue Class This is a container to group atoms in small organising units. It has a parent Chain, a residue type (class RT) and a AtomList with all atoms of the residue. It can also have a name and a id.

Friends And Related Function Documentation

ResidueKey rCreate ( ChainKey  p,
RT  rt 
) [friend]

Create a new residue.

Create a new residue of type rt at the end of chain p and return the new ResidueKey.

void rDelete ( ResidueKey  k  )  [friend]

Delete a residue.

Delete residue r and all of its children.

AtomKey aCreate ( ResidueKey  p,
ELE  e,
Vec3_t  c,
GEO  g 
) [friend]

Create a new atom.

Create a new atom with element e, coordinates c and geometrie g at the end of residue p and return the new AtomKey.

void aDelete ( AtomKey  k  )  [friend]

Delete an atom.

Delete atom a and all of its bonds.


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

Generated on Mon Nov 23 08:31:45 2009 for ParaDockS by  doxygen 1.5.8