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Atom_ Struct Reference

an atom or heteroatom. More...

#include <pdbread.h>

Collaboration diagram for Atom_:

[legend]List of all members.

Public Attributes
int	Atno
	atom serial number as in the PDB entry.
Str4_	Id
	atom type like CA or OD2: 4 chars max. More...
char	Alt
	alternate location indicator.
char	Res1
	1-letter residue code or ' ' for OXT or 'X' for unknown etc.
Residue_	Res
	residue or hetgroup description.
float	X [3]
	the coordinates.
float	Occu
float	Bfact
	occupancy and temperature factor.
Str4_	Segid
	segment identifier, left justified.
Str2_	Element
	element symbol, right justified.
int	Charge
	charge on atom.
long	Type
	holds macromolecule typing flag, determined by Res3.

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Detailed Description

an atom or heteroatom.

Definition at line 103 of file pdbread.h.

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Member Data Documentation

int Atom_::Atno

atom serial number as in the PDB entry. Definition at line 105 of file pdbread.h.

Str4_ Atom_::Id

atom type like CA or OD2: 4 chars max. + \0 Definition at line 106 of file pdbread.h.

char Atom_::Alt

alternate location indicator. Definition at line 107 of file pdbread.h.

char Atom_::Res1

1-letter residue code or ' ' for OXT or 'X' for unknown etc. Definition at line 108 of file pdbread.h.

Residue_ Atom_::Res

residue or hetgroup description. Definition at line 109 of file pdbread.h.

float Atom_::X

the coordinates. Definition at line 110 of file pdbread.h.

float Atom_::Occu

Definition at line 111 of file pdbread.h.

float Atom_::Bfact

occupancy and temperature factor. Definition at line 111 of file pdbread.h.

Str4_ Atom_::Segid

segment identifier, left justified. Definition at line 112 of file pdbread.h.

Str2_ Atom_::Element

element symbol, right justified. Definition at line 113 of file pdbread.h.

int Atom_::Charge

charge on atom. Definition at line 114 of file pdbread.h.

long Atom_::Type

holds macromolecule typing flag, determined by Res3. Definition at line 115 of file pdbread.h.

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

• pdbread.h

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