IMP::atom::CHARMMAtomTopology Class Reference

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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:

CHARMMAtom

Public Member Functions
	CHARMMAtomTopology (std::string name, const CHARMMAtomTopology &other)
	CHARMMAtomTopology (std::string name)
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)

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

• charmm_topology.h
• atom/__init__.py