charmm_topology.h File Reference

Classes for handling CHARMM-style topology. More...

#include "IMP/Object.h"
#include "Hierarchy.h"
#include "Atom.h"
#include <IMP/atom/atom_config.h>
#include <cereal/access.hpp>
#include <string>
#include <vector>

Include dependency graph for charmm_topology.h:

This graph shows which files directly or indirectly include this file:

Go to the source code of this file.

Classes
class	IMP::atom::CHARMMAtomTopology
	A single atom in a CHARMM topology. More...
class	IMP::atom::CHARMMBondEndpoint
	The end of a bond, angle, dihedral, improper, or internal coordinate. More...
class	IMP::atom::CHARMMConnection< D >
	A connection (bond, angle, dihedral) between some number of endpoints. More...
class	IMP::atom::CHARMMIdealResidueTopology
	The ideal topology of a single residue. More...
class	IMP::atom::CHARMMInternalCoordinate
	A geometric relationship between four atoms. More...
class	IMP::atom::CHARMMPatch
	A CHARMM patch residue. More...
class	IMP::atom::CHARMMResidueTopology
	The topology of a single residue in a model. More...
class	IMP::atom::CHARMMResidueTopologyBase
	Base class for all CHARMM residue-based topology. More...

Namespaces
	IMP
	Base functionality and abstract base classes for representation, scoring and sampling.
	IMP::atom
	Functionality for loading, creating, manipulating and scoring atomic structures.

Typedefs
typedef CHARMMConnection< 3 >	IMP::atom::CHARMMAngle
typedef IMP::Vector< CHARMMAngle >	IMP::atom::CHARMMAngles
typedef IMP::Vector < CHARMMAtomTopology >	IMP::atom::CHARMMAtomTopologies
typedef CHARMMConnection< 2 >	IMP::atom::CHARMMBond
typedef IMP::Vector < CHARMMBondEndpoint >	IMP::atom::CHARMMBondEndpoints
typedef IMP::Vector< CHARMMBond >	IMP::atom::CHARMMBonds
typedef CHARMMConnection< 4 >	IMP::atom::CHARMMDihedral
typedef IMP::Vector < CHARMMDihedral >	IMP::atom::CHARMMDihedrals
typedef IMP::Vector < IMP::Pointer < CHARMMIdealResidueTopology > >	IMP::atom::CHARMMIdealResidueTopologies
typedef IMP::Vector < IMP::WeakPointer < CHARMMIdealResidueTopology > >	IMP::atom::CHARMMIdealResidueTopologiesTemp
typedef IMP::Vector < CHARMMInternalCoordinate >	IMP::atom::CHARMMInternalCoordinates
typedef IMP::Vector < IMP::Pointer< CHARMMPatch > >	IMP::atom::CHARMMPatches
typedef IMP::Vector < IMP::WeakPointer < CHARMMPatch > >	IMP::atom::CHARMMPatchesTemp
typedef IMP::Vector < IMP::Pointer < CHARMMResidueTopology > >	IMP::atom::CHARMMResidueTopologies
typedef IMP::Vector < IMP::WeakPointer < CHARMMResidueTopology > >	IMP::atom::CHARMMResidueTopologiesTemp
typedef IMP::Vector < IMP::Pointer < CHARMMResidueTopologyBase > >	IMP::atom::CHARMMResidueTopologyBases
typedef IMP::Vector < IMP::WeakPointer < CHARMMResidueTopologyBase > >	IMP::atom::CHARMMResidueTopologyBasesTemp

Detailed Description

Classes for handling CHARMM-style topology.

Copyright 2007-2022 IMP Inventors. All rights reserved.

Definition in file charmm_topology.h.