Header of PDB file: Difference between revisions
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[[PDB files]] contain atomic coordinates plus additional annotations in a '''header section'''. The header section is everything before the first record (line) beginning with MODEL or ATOM. | [[PDB files]] contain atomic coordinates plus additional annotations in a '''header section'''. The header section is everything before the first record (line) beginning with MODEL or ATOM or HETATM. Here is an excerpt of the header for [[1ijw]]: | ||
<pre>HEADER DNA BINDING PROTEIN/DNA 30-APR-01 1IJW | |||
TITLE TESTING THE WATER-MEDIATED HIN RECOMBINASE DNA RECOGNITION | |||
TITLE 2 BY SYSTEMATIC MUTATIONS. | |||
COMPND MOL_ID: 1; | |||
COMPND 2 MOLECULE: 5'-D(*TP*GP*TP*TP*TP*TP*TP*GP*AP*TP*AP*AP*GP*A)- | |||
COMPND 3 3'; | |||
COMPND 4 CHAIN: A; | |||
COMPND 5 ENGINEERED: YES; | |||
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CRYST1 85.749 81.136 44.596 90.00 90.00 90.00 C 2 2 21 8 | |||
ORIGX1 1.000000 0.000000 0.000000 0.00000 | |||
ORIGX2 0.000000 1.000000 0.000000 0.00000 | |||
ORIGX3 0.000000 0.000000 1.000000 0.00000 | |||
SCALE1 0.011662 0.000000 0.000000 0.00000 | |||
SCALE2 0.000000 0.012325 0.000000 0.00000 | |||
SCALE3 0.000000 0.000000 0.022424 0.00000 | |||
</pre> | |||
The header '''section''' should not be confused with the HEADER record, which is the first line in a PDB file, and always a single line. Here is the HEADER record for [[1ijw]]: | The header '''section''' should not be confused with the HEADER record, which is the first line in a PDB file, and always a single line. Here is the HEADER record for [[1ijw]]: | ||