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
