The within selector allows you to make a selection of all atoms within a given
radius form a point :
select within (distance,{x y z})
It won't give you just the closest...
I think it is feasible with Jmol math, where you can create an array of atoms,
then calculate an array of distances from a point (using the distance function)
and sort that array to get the smallest distance. I am not literate enough in
Jmol math subtleties to provide you with further hints...
-Paul
Le 30 mars 2011 à 02:06, Yingjie Lin a écrit :
> Hi Jmolers,
>
> I need to find the nearest atom(s) to a given point. What I can think of is
> the following:
>
> [pseudocode]
>
> get atoms within a 1*1 boundbox
> if ( some atoms are found) {
> return these atoms;
> stop;
> } else {
> get atoms within a 2*2 boundbox;
> if ( some atoms are found) {
> return these atoms;
> stop;
> else {
> ......
> }
> }
> [/pseudocode]
> The searching stops at 5*5, since I am not interested in something that far
> away.
> Is there a better way to do this?
>
> Thank you.
>
> Yingjie
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