please do

# The following script load a protein,
# alters the OH coordinate of TYR29
# and performs an energy minimization
# on the modified residue.

open from download "1CRN.pdb";
$X = select in 0 num 29;
$A = get coord " OH " of $X;
$T = <0.2,-0.2,0.0>;
$i = 0;
do 
{
	set coord " OH " of $X to ($A + (float)$i*$T);
	redraw;
	pause 0.25;
	$i++;
} while ($i<10);
$DIST = dist( get coord " OH " of $X,
              get coord " CZ " of $X );

print "Distance OH - CZ is " + (string)$DIST;

$E0 = compute in "1crn" energy;
$E1 = minimize $X with 40 cycles;
$DIST = dist( get coord " OH " of $X,
              get coord " CZ " of $X );
print "Energy before " + (string)$E0 + " after " + (string)$E1 + 
      ". Distance OH - CZ is now " + (string)$DIST; 

thank you

