please do
# The following script is a demonstration of
# how to add commands to the user interface
# via scripting,In this case,the commands
# will act on the current active layer.
open from download "1CRN.pdb";
print "Click on one of the 'sub' commands in the script window";
thank you
sub select_charged;
silent stop;
sub select_positive;
silent stop;
sub select_negative;
silent stop;
# Here are the subroutines that can be called
# by clicking on their names,You should not
# click on them,as they need to be called as
# subroutines.
select_charged:
{
# conceptually not the most efficient way,
# to do it,but interesting teaching example
$l = get active_layer;
sub select_positive;
$SEL1 = get selection of $l;
sub select_negative;
$SEL2 = get selection of $l;
$SEL = $SEL1 + $SEL2;
select $SEL;
return;
}
select_positive:
{
$l = get active_layer;
if (ask "Shall I include His residues?" == 1)
{ select in $l res "K","R","H"; }
else { select in $l res "K","R";}
return;
}
select_negative:
{
$l = get active_layer;
select in $l res "D","E";
return;
}