please do
# The following script is a demonstration of
# how to rotate a selection around an axis
# or some atoms of an het group around a bond,
# and move selection around.
# and save a pov-ray scripts.
open pdb from download "1ATP.pdb";
# --- select residues that are close to the ATP
# show them and center view on it.
$SEL1 = select in "1atp" name "ATP1";
$SEL2 = select within 4.0 of $SEL1;
show res,side of $SEL2;
center on visible;
compute in "1ATP" hbond;
# ----------- rotate atp around an axis defined by two atoms ----------
$ATM1 = get coord " PG " of $SEL1;
$ATM2 = get coord " N1 " of $SEL1;
$X = 0;
do
{
rotate $SEL1 by 20.0 deg around axis $ATM1 $ATM2;
compute in "1ATP" hbond;
pause 0.1;
$X++;
} while ($X < 18);
# ----------- rotate a SUBPART of atp around an axis defined by two atoms ----------
$X = 0;
do
{
rotate atoms of $SEL1 by 20.0 deg around bond " C1* " " N9 ";
compute in "1ATP" hbond;
pause 0.1;
$X++;
} while ($X < 18);
# ----------- move atp around ----------
$V[0] = <0.3,0.0,0.0>;
$V[1] = <0.0,0.3,0.0>;
$V[2] = <-0.3,0.0,0.0>;
$V[3] = <0.0,-0.3,0.0>;
$i = 0;
do
{
$X = 0;
do
{
move $SEL1 by $V[$i];
compute in "1ATP" hbond;
pause 0.1;
$X++;
} while ($X < 5);
} while (++$i < 4);
# --- save a pov ray scene,and launch the rendering pov engine.
export pov in USRSTUFF as "1atp_activ2.pov" and render;
thank you