mdio_Pdbatom_t Struct Reference

ATOM and HETATM record information. More...

#include <pdbcoord.h>

List of all members.

Public Attributes
char	record [8]
char	serial [8]
char	name [8]
char	altLoc [4]
char	resName [4]
char	chainID [4]
char	resSeq [8]
char	iCode [4]
float	occupancy
float	tempFactor
char	segID [8]
char	element [4]
char	charge [4]

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Detailed Description

ATOM and HETATM record information.

Auxiliary structure for information from PDB ATOM or HETATM records. The field names and notes below are from the PDB format description guide: http://www.rcsb.org/pdb/docs/format/pdbguide2.2/guide2.2_frame.html . The extra space in the char arrays are for nil-termination and 32-bit padding. The column numbering given is FORTRAN-based, ranging from 1 to 80.

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Member Data Documentation

char mdio_Pdbatom_t::altLoc[4]

Alternate location identifier. (col: 17)

char mdio_Pdbatom_t::chainID[4]

Chain identifier. (col: 22)

char mdio_Pdbatom_t::charge[4]

Charge on the atom. (col: 79 - 80)

char mdio_Pdbatom_t::element[4]

Element symbol, right-justified. (col: 77 - 78)

char mdio_Pdbatom_t::iCode[4]

Code for insertion of residues. (col: 27)

char mdio_Pdbatom_t::name[8]

Atom name. (col: 13 - 16)

float mdio_Pdbatom_t::occupancy

Occupancy. (col: 55 - 60)

char mdio_Pdbatom_t::record[8]

Record name: "ATOM " or "HETATM" (col: 1 - 6)

char mdio_Pdbatom_t::resName[4]

Residue name. (col: 18 - 20)

char mdio_Pdbatom_t::resSeq[8]

Residue sequence number. (col: 23 - 26)

char mdio_Pdbatom_t::segID[8]

Segment identifier, left-justified. (col: 73 - 76)

char mdio_Pdbatom_t::serial[8]

Atom serial number. (col: 7 - 11)

float mdio_Pdbatom_t::tempFactor

Temperature factor. (col: 61 - 66)

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

• mdio/pdbcoord.h

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