haatgroup.h File Reference

#include "haio.h"
#include "haatom.h"
#include "habond.h"
#include "halinalg.h"

Go to the source code of this file.

Classes
class	AtomIterator
	Abstract class for an iterator on collections of atoms. More...
class	AtomCollection
	< Abstract class for Atom Collection More...
class	AtomListIterator
	Atom iterator class to browse atoms of the Atom List. More...
class	AtomList
	Class to define a list of atoms. More...
class	ChemGroup
	Class to define Chemical(Functional) Atom Group object. More...
class	AltChemState
	Class to define an alternative protonation (or redox) state of the AtomList. More...
class	HaResidue
	Class to define Residue in a polymer or bioplymer chain. More...
class	HaChain
	< Class to define chain of residues More...
class	Partition
	< Class for the partion of atoms of the Molecular Set into cubic sections to speed up some algorithm requiring cycles on nearby atoms More...
Typedefs
typedef AtomListIterator	AtomIteratorResidue
typedef list< HaBond >::iterator	Bond_itr
typedef set< HaResidue, less< HaResidue > >	Residues_type

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Detailed Description

Classes to define atomic groups, residues and chains of resdiues

Author:

Igor Kurnikov

Date:

1998-2002

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