PDB FORMAT Version 2.3

Bookkeeping Section

The Bookkeeping Section provides some final information about the file itself.

MASTER

Overview

The MASTER record is a control record for bookkeeping. It lists the number of lines in the coordinate entry or file for selected record types.

Record Format

COLUMNS DATA TYPE FIELD DEFINITION
-------------------------------------------------------------------
 1 - 6 Record name "MASTER"
11 - 15 Integer numRemark Number of REMARK records
16 - 20 Integer "0"
21 - 25 Integer numHet Number of HET records
26 - 30 Integer numHelix Number of HELIX records
31 - 35 Integer numSheet Number of SHEET records
36 - 40 Integer numTurn Number of TURN records
41 - 45 Integer numSite Number of SITE records
46 - 50 Integer numXform Number of coordinate 
 transformation
 records (ORIGX+SCALE+MTRIX)
51 - 55 Integer numCoord Number of atomic coordinate 
 records (ATOM+HETATM)
56 - 60 Integer numTer Number of TER records
61 - 65 Integer numConect Number of CONECT records
66 - 70 Integer numSeq Number of SEQRES records

Details

MASTER gives checksums of the number of records in the entry, for selected record types.

Verification/Validation/Value Authority Control

The MASTER line is generated by the PDB.

Relationships to Other Record Types

MASTER presents a checksum of the lines present for each of the record types listed above.

Example

 1 2 3 4 5 6 7
1234567890123456789012345678901234567890123456789012345678901234567890
MASTER 40 0 0 0 0 0 0 6 2930 2 0 29

END

Overview

The END record marks the end of the PDB file.

Record Format

COLUMNS DATA TYPE FIELD DEFINITION
-------------------------------------------------------
 1 - 6 Record name "END "

Details

END is the final record of a coordinate entry.

Verification/Validation/Value Authority Control

END must appear in every coordinate entry.

Relationships to Other Record Types

This is the final record in the entry.

Example

 1 2 3 4 5 6 7
1234567890123456789012345678901234567890123456789012345678901234567890
END

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