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

access to CHARMM force field parameters More...

#include "internal/charmm_helpers.h"
#include "ForceFieldParameters.h"
#include "charmm_topology.h"
#include "atom_macros.h"
#include <cereal/access.hpp>
#include <IMP/file.h>
#include <string>
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Classes

struct  IMP::atom::CHARMMBondParameters
 The parameters for a CHARMM bond or angle. More...
 
struct  IMP::atom::CHARMMDihedralParameters
 The parameters for a CHARMM dihedral or improper. More...
 
class  IMP::atom::CHARMMParameters
 CHARMM force field parameters. 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 IMP::Vector
< CHARMMBondParameters > 
IMP::atom::CHARMMBondParametersList
 
typedef IMP::Vector
< CHARMMDihedralParameters > 
IMP::atom::CHARMMDihedralParametersList
 
typedef IMP::Vector
< IMP::Pointer
< CHARMMParameters > > 
IMP::atom::CHARMMParametersList
 
typedef IMP::Vector
< IMP::WeakPointer
< CHARMMParameters > > 
IMP::atom::CHARMMParametersListTemp
 

Functions

CHARMMParameters * IMP::atom::get_all_atom_CHARMM_parameters ()
 
CHARMMParameters * IMP::atom::get_heavy_atom_CHARMM_parameters ()
 

Detailed Description

access to CHARMM force field parameters

Copyright 2007-2022 IMP Inventors. All rights reserved.

Definition in file CHARMMParameters.h.