please do
# The following script is a demonstration of
# how to print out information about selected
# residues,On UNIX platforms,we print on
# stdout,on Mac and PC in a dialog.
# look in other examples to know how to print
# in a file.
if ((get gCurrentOS == "SGI") OR (get gCurrentOS == "LINUX"))
{
print on stdout;
}
else
{
print on dialog;
}
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 3.0 of $SEL1;
show res,side of $SEL2;
center on visible;
$NBGROUPS = groupcount of "1atp";
$X = 0;
do
{
if (is_selected("1atp",$X) == true)
{
print "chain," + chain("1atp",$X) + " "
+ "name," + name("1atp",$X) + " "
+ "one letter," + res("1atp",$X) + " "
+ "num," + (string)num("1atp",$X) + " "
+ "sec struct," + ss("1atp",$X) + " "
+ "%access," + (string)access("1atp",$X);
}
} while (++$X < $NBGROUPS);
thank you