pteros::Atom Class Reference

Class which represents a single atom. More...

#include <atom.h>

Public Attributes
General fields
int	resid
	Residue ID (unique only inside given chain)
std::string	name
	Atom name (CA, O, N, etc.)
char	chain
	Chain. Single letter (A,B,Z)
std::string	resname
	Residue name in 3-letters code (ALA, GLY, MET, etc.)
std::string	tag
	Arbitrary textual tag.
float	occupancy
	Occupancy field.
float	beta
	B-factor field.
int	resindex
	Unique residue ID. More...
int	atomic_number
	Element atomic number zero means particle, which is not real atom (for example dummy)
Force-field related fields
float	mass
	Atom mass
float	charge
	Atom charge
int	type
	Atom type code. -1 means unknown.
std::string	type_name
	Atom type name - textual representation of the atom type

Detailed Description

Class which represents a single atom.

Coordinates are stored separately in the System.

Member Data Documentation

resindex

int pteros::Atom::resindex

Unique residue ID.

For multi-chain proteins this marks each residue in unique way regardless of the chain

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

• include/pteros/core/atom.h