Seems to work perfectly! I never would have figured that out myself!
Thanks, Alex!
How about the number of atoms per residue/group?
Anything more elegant than
print {nhw}.groupindex.all.count / {nhw}.groupindex.all.count().length
???
Eric
At 3/29/13, Alexander Rose wrote:
>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
> >
> >
> >
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