Atom Class Reference

#include <PDBstructure.hpp>

Collaboration diagram for Atom:

Classes
struct	Coordinates
	atom id number More...

Public Member Functions
float	VdW_Radius ()
	atomic radii
int	Read_PDB_File ()

Public Attributes
struct Atom::Coordinates	Coord
float	charge
float	radii
	atomic charge

Private Member Functions
	Atom ()
	~Atom ()
	Atom destructor.

Private Attributes
std::string	Atom_Type
int	Atom_Number
	Atom_type: H, C, O, etc.

Friends
class	PDB
class	Residue

Detailed Description

This class store the parameters for each atom instance in a Residue

This class store the parameters for each residue instance in a PDB

Constructor & Destructor Documentation

Atom()

Atom::Atom ( )

inlineprivate

~Atom()

Atom::~Atom ( )

private

Atom destructor.

Member Function Documentation

Read_PDB_File()

int Atom::Read_PDB_File

(

)

VdW_Radius()

float Atom::VdW_Radius

(

)

atomic radii

Assign the vdW radius for a given atom.

Warning

atom types and radii given below should be kept consistent with the rest of the SDA code!

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Friends And Related Symbol Documentation

PDB

friend class PDB

friend

Residue

friend class Residue

friend

Member Data Documentation

Atom_Number

int Atom::Atom_Number

private

Atom_type: H, C, O, etc.

Atom_Type

std::string Atom::Atom_Type

private

charge

float Atom::charge

Coord

struct Atom::Coordinates Atom::Coord

radii

float Atom::radii

atomic charge

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

• tools/DT-Grid/tools/PDBstructure.hpp
• tools/DT-Grid/tools/PDBstructure.cpp