IMP  2.2.1
The Integrative Modeling Platform
IMP::atom::CHARMMAtomTopology Class Reference

A single atom in a CHARMM topology. More...

#include <IMP/atom/charmm_topology.h>

Public Member Functions

 CHARMMAtomTopology (std::string name)
 
 CHARMMAtomTopology (std::string name, const CHARMMAtomTopology &other)
 
double get_charge () const
 
std::string get_charmm_type () const
 
std::string get_name () const
 
void set_charge (double charge)
 
void set_charmm_type (std::string charmm_type)
 
void show (std::ostream &out=std::cout) const
 

Detailed Description

Each atom has a name (unique to the residue), a CHARMM type (used to look up parameters such as radii and bond lengths in the parameter file) and an electrostatic charge.

See Also
CHARMMAtom

Definition at line 28 of file charmm_topology.h.


The documentation for this class was generated from the following file: