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 > Jmol-users@lists.sourceforge.net > 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 Jmol-users@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/jmol-users