IMP Reference Guide
develop.36b5e40f34,2024/10/14
The Integrative Modeling Platform
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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>
Go to the source code of this file.
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 () |
access to CHARMM force field parameters
Copyright 2007-2022 IMP Inventors. All rights reserved.
Definition in file CHARMMParameters.h.