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. MASTER records only the first model when there are multiple models in the coordinates.

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    deprecated
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
 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.
MASTER records only the first model when there are multiple models in the coordinates.

Verification/Validation/Value Authority Control

The MASTER line is automatically generated.

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     8
12345678901234567890123456789012345678901234567890123456789012345678901234567890
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     8
12345678901234567890123456789012345678901234567890123456789012345678901234567890
END