IMP Reference Guide
develop.7cb8855c60,2024/10/04
The Integrative Modeling Platform
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Define functions to add bonds and radii to atoms. More...
#include <IMP/atom/atom_config.h>
#include "Hierarchy.h"
#include "ForceFieldParameters.h"
#include "CHARMMParameters.h"
#include <string>
Go to the source code of this file.
Namespaces | |
IMP | |
Base functionality and abstract base classes for representation, scoring and sampling. | |
IMP::atom | |
Functionality for loading, creating, manipulating and scoring atomic structures. | |
Functions | |
void | IMP::atom::add_bonds (Hierarchy d, const ForceFieldParameters *ffp=get_all_atom_CHARMM_parameters()) |
Add bonds using definitions from given force field parameters. More... | |
void | IMP::atom::add_radii (Hierarchy d, const ForceFieldParameters *ffp=get_all_atom_CHARMM_parameters(), FloatKey radius_key=FloatKey("radius")) |
Add vdW radius from given force field. More... | |
Define functions to add bonds and radii to atoms.
Copyright 2007-2022 IMP Inventors. All rights reserved.
Definition in file force_fields.h.