Eran Hodis wrote:
> Hello all,
>
> Please direct me to a previous group posting if the answers to my
> questions have already been posted but...
>
> I seem to be having a problem selecting atoms by their atom numbers
> using "select atomno".
>
> When I enter a sequence of atoms like "select atomno=30-40", I get an
> error:
>
> select atomno=30-40
> pending
> script compiler ERROR: end of expression expected
> ----
> select atomno=30-40 <<<<
>
> ("select atomno=30" works fine. As does any selection of a single
> atom number.)
>
> I'm using Jmol 11.3.34.
>
I think it just isn't implemented (yet?) to use a range in an "atomno="
expression.
But if you use a slightly newer version (script below was tested with
11.3.47) you could define yourself a function that does what you want:
function atomnoSelection(start_atomno,end_atomno);
var sel_exp = "";
for (i=start_atomno; i<=end_atomno; i=i+1);
if (sel_exp = "");
sel_exp = "atomno=" + i;
else;
sel_exp = sel_exp + " OR atomno=" + i;
end if;
end for;
if (sel_exp != "");
sel_exp = "(" + sel_exp + ")";
end if;
return sel_exp;
end function;
I surrounded the resulting expression with brackets in order to be able
to use it in combination with any other expression.
You could use the function for example like this:
select @{atomnoSelection(30,40)} and */1
This would select atoms 30-40 of model 1.
You can take a look at the output of the function with the "print" command:
print atomnoSelection(1,5);
Isn't it amazing what is possible now with Jmol scripting?
Regards,
Rolf
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