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 "net" "1ATP"; # --- 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