Overview
The ORIGXn (n = 1, 2, or 3) records present the transformation from the orthogonal coordinates contained in the entry to the submitted coordinates.
Record Format
COLUMNS DATA TYPE FIELD DEFINITION ------------------------------------------------------------- 1 - 6 Record name "ORIGXn" n=1, 2, or 3 11 - 20 Real(10.6) o[n][1] On1 21 - 30 Real(10.6) o[n][2] On2 31 - 40 Real(10.6) o[n][3] On3 46 - 55 Real(10.5) t[n] Tn
Details
* The PDB supplies this information even if the transformation is an identity transformation (unit matrix, null vector). See the SCALE section of this document for a definition of the default orthogonal Angstroms system.
* If the original submitted coordinates are Xsub, Ysub, Zsub and the orthogonal Angstroms coordinates contained in the data entry are X, Y, Z, then:
Xsub = O11X + O12Y + O13Z + T1
Ysub = O21X + O22Y + O23Z + T2
Zsub = O31X + O32Y + O33Z + T3
* Appendix 2 details the derivation of the ORIGX coordinate transformation.
Verification/Validation/Value Authority Control
If the coordinates are submitted in the same orthogonal Angstrom coordinate frame as they appear in the entry (the usual case), then ORIGX is an identity matrix with a null translation vector. If the transformation is not an identity matrix with a null translation vector, then applying this transformation to the coordinates in the entry yields the coordinates in the original deposited file.
Relationships to Other Record Types
ORIGX relates the coordinates in the ATOM and HETATM records to the coordinates in the submitted file.
Example
1 2 3 4 5 6 7
1234567890123456789012345678901234567890123456789012345678901234567890
ORIGX1 0.963457 0.136613 0.230424 16.61000
ORIGX2 -0.158977 0.983924 0.081383 13.72000
ORIGX3 -0.215598 -0.115048 0.969683 37.65000