Hi,
A while ago I came up with this:
print {nhw}.groupindex.all.count().length
It is also very fast. Much faster then using a for loop in Jmolscript.
Best
Alex
Am 29.03.2013 um 18:39 schrieb Eric Martz:
> I have been enjoying jmolEvaluate, e.g.
> jmolEvaluate("{mse.ca}.count") to get the number of selenomethionines
> in the model.
>
> What is a general method to get the number of groups/copies of a
> group (e.g. ligand molecule)? Not the number of atoms, but the number
> of groups? For example, 4b14 has 3 copies of a ligand molecule
> designated NHW (2-oxopentadecyl-CoA).
>
> print {nhw}.count
>
> gives 192 atoms. How do I generate a report that there are 3 copies of NHW?
>
> Thanks, Eric
>
>
> ------------------------------------------------------------------------------
> Own the Future-Intel(R) Level Up Game Demo Contest 2013
> Rise to greatness in Intel's independent game demo contest. Compete
> for recognition, cash, and the chance to get your game on Steam.
> $5K grand prize plus 10 genre and skill prizes. Submit your demo
> by 6/6/13. http://altfarm.mediaplex.com/ad/ck/12124-176961-30367-2
> _______________________________________________
> Jmol-users mailing list
> [email protected]
> https://lists.sourceforge.net/lists/listinfo/jmol-users
------------------------------------------------------------------------------
Own the Future-Intel(R) Level Up Game Demo Contest 2013
Rise to greatness in Intel's independent game demo contest. Compete
for recognition, cash, and the chance to get your game on Steam.
$5K grand prize plus 10 genre and skill prizes. Submit your demo
by 6/6/13. http://altfarm.mediaplex.com/ad/ck/12124-176961-30367-2
_______________________________________________
Jmol-users mailing list
[email protected]
https://lists.sourceforge.net/lists/listinfo/jmol-users
