Overview
The MTRIXn (n = 1, 2, or 3) records present transformations expressing non-crystallographic symmetry.
Record Format
COLUMNS DATA TYPE FIELD DEFINITION
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1 - 6 Record name "MTRIXn" n=1, 2, or 3
8 - 10 Integer serial Serial number.
11 - 20 Real(10.6) m[n][1] Mn1
21 - 30 Real(10.6) m[n][2] Mn2
31 - 40 Real(10.6) m[n][3] Mn3
46 - 55 Real(10.5) v[n] Vn
60 Integer iGiven 1 if coordinates for the
representations which are
approximately related by the
transformations of the molecule are
contained in the entry. Otherwise,
blank.
Details
* The MTRIX transformations operate on the coordinates in the entry to yield equivalent representations of the molecule in the same coordinate frame. One trio of MTRIX records with a constant serial number is given for each non-crystallographic symmetry operation defined. If coordinates for the representations which are approximately related by the given transformation are contained in the file, the iGiven field is set to 1. Otherwise, this field is blank.
* A corresponding REMARK must appear which describes the transformation.
Verification/Validation/Value Authority Control
The PDB verifies all MTRIX records by applying the given transformation and determining the RMSD between the calculated and supplied coordinates if iGiven is equal to 1. If iGiven is blank, PDB verifies MTRIX by checking the packing of the generated molecules.
Relationships to Other Record Types
A corresponding REMARK must appear which describes the transformation.
Example
1 2 3 4 5 6 7
1234567890123456789012345678901234567890123456789012345678901234567890
MTRIX1 1 -1.000000 0.000000 -0.000000 0.00001 1
MTRIX2 1 -0.000000 1.000000 0.000000 0.00002 1
MTRIX3 1 0.000000 -0.000000 -1.000000 0.00002 1