Protein Data Bank (PDB)

ATOM/HETATM line Description of the PDB Atom record, ver 2.2:

 

 

Columns	Data type	Field	Definition
1 - 6	Record name	"ATOM "
7 - 11	Integer	serial	Atom serial number.
13 - 16	Atom	name	Atom name.
17	Character	altLoc	Alternate location indicator.
18 - 20	Residue name	resName	Residue name.
22	Character	chainID	Chain identifier.
23 - 26	Integer	resSeq	Residue sequence number.
27	AChar	iCode	Code for insertion of residues.
31 - 38	Real(8.3)	x	Orthogonal coordinates for X in A.
39 - 46	Real(8.3)	y	Orthogonal coordinates for Y in A.
47 - 54	Real(8.3)	z	Orthogonal coordinates for Z in A.
55 - 60	Real(6.2)	occupancy	Occupancy.
61 - 66	Real(6.2)	tempFactor	Temperature factor.
73 - 76	LString(4)	segID	Segment identifier, left-justified.
77 - 78	LString(2)	element	Element symbol, right-justified.
79 - 80	LString(2)	charge	Charge on the atom.

转载于:https://www.cnblogs.com/jfxia/archive/2010/04/16/1713881.html