IMP logo
IMP Reference Guide  2.7.0
The Integrative Modeling Platform
IMP::atom::CHARMMAtomTopology Class Reference

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

#include <IMP/atom/charmm_topology.h>

Detailed Description

A single atom in a CHARMM topology.

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

Definition at line 28 of file 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

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