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Protain Data Bank Data File.

File Extension

The data file extension is ".pdb".

Outline


Draw molecure structure from *.pdb file."ATOM","HETATOM" is Atom's Data.

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
                                             Angstroms.

39 - 46        Real(8.3)       y             Orthogonal coordinates for Y in
                                             Angstroms.

47 - 54        Real(8.3)       z             Orthogonal coordinates for Z in
                                             Angstroms.

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.
Need "Atom serial number","Atom name","coordinates".
"CONECT" is bond's data.
CONECT    1    2                                                               
CONECT    2    1                                                               
CONECT    1    3                                                               
CONECT    3    1                                                               
CONECT    1    4                                                               
Multibond is drawed by one stick, too. Your data may can't create model.
PDB's reference The RCSB Protain Data Bank



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