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IMP Reference Guide  develop.36b5e40f34,2024/10/14
The Integrative Modeling Platform
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>
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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.