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Atom_ Struct Reference

an atom or heteroatom. More...

#include <pdbread.h>

Collaboration diagram for Atom_:

Collaboration graph
[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.


Detailed Description

an atom or heteroatom.

Definition at line 103 of file pdbread.h.


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.


The documentation for this struct was generated from the following file:
Generated at Wed Aug 21 09:33:32 2002 for The Razorback C Library: Bioinformatics by doxygen1.2.6 written by Dimitri van Heesch, © 1997-2001