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Superimposing Residues within a Model

$tntbin/overlay << $eof
INCLUDE core5r.cor
SELECT C1A NA C4A CHB C1B C2B C3B CAB C4B NB
SELECT CHC C1C NC C4C CHD C1D C2D C3D CAD C4D ND CHA
TARGET 360
OVERLAY 362
APPLY   362
OVERLAY 364
APPLY   364
OVERLAY 366
APPLY   366
OVERLAY 368
APPLY   368
OVERLAY 370
APPLY   370
OVERLAY 372
APPLY   372
PUNCH output.cor ATOMC
$eof
if ($status >< 0) then exit 1

This example is more complicated. Here Overlay reads in the coordinates of the bacteriochlorophyll core of the bacteriochlorophyll-a containing protein, selects for consideration only the atoms in the conjugated ring system, superimposes each ring, in turn, onto ring 360, and writes the resulting coordinates to the file output.cor.



Dale Edwin Tronrud
Thu Jul 6 23:24:57 PDT 2000