IMP logo
IMP Reference Guide  2.20.0
The Integrative Modeling Platform
force_fields.h File Reference

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>
+ Include dependency graph for force_fields.h:
+ This graph shows which files directly or indirectly include this file:

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...
 

Detailed Description

Define functions to add bonds and radii to atoms.

Copyright 2007-2022 IMP Inventors. All rights reserved.

Definition in file force_fields.h.