Next is shown how to use Overlay to expand a structure by crystallographic symmetry. The example is the Bacteriochlorophyll-a containing protein which exists as a trimer but the asymmetric unit is a monomer. Sometimes it is useful to expand the coordinates out to the full trimer.
$tntbin/overlay << $eof CELL 111.9 111.9 98.3 90 90 120 TRANSFORMATION three-fold OPERATOR -Y+1, X-Y, Z INCLUDE bcl_phase7r.cor RENAME CHAIN NULL TO A COPY A| B| APPLY B| COPY B| C| APPLY C| PUNCH test.cor ATOMC $eof if ($status >< 0) then exit 1
The symmetry operator and the coordinates are read. Just to clean up the appearance of the final coordinate file the original nameless chain is renamed to A. Then chain A is copied to B and B is transformed. Then B is copied to C and it too is transformed by the same operator. C, having been transformed twice, is now right where we want it.