Thursday, June 3, 2010

PDB Format, Very useful for text mining with PDB files and Parsing



  pdb_format



Record Format

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.
77 - 78        LString(2)   element      Element symbol, right-justified.
79 - 80        LString(2)   charge       Charge on the atom.



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