Rolf,
Yup, that seems to work for getting the atomIndex. It just took a while for
me to find the correct dot notation by playing with:
var z={*}.atomIndex.max;echo @z;
I'm new to the math component of Jmol, so I'm doing a lot of trial and error
with math notation right now.
I have not tried your other approach yet because I think it just sunk in as
I read you last note. Did you mean
select{*).
add the carbon atom code here
select unselected
???
Otis
On Fri, Feb 19, 2010 at 2:37 PM, Rolf Huehne <[email protected]> wrote:
> Otis Rothenberger schrieb:
> > Subsequent methylamine to ethylamine adds the carbon atom, but it will
> > not connect, nor will it add hydrogens. Checking all three atomInfo's
> > shows the problem. There is atomIndex confusion with all the deleting
> > and adding going on. The array lengths are correct, but atomIndex
> > problems start with the generated methylamaine. They run 0,4,5,6,7,8,9.
> > It looks like deleted H's are taken out of the counting sequence.
> >
> I wwas suspecting that deletions might interfere. That's why I proposed
> (unlike Bob) to determine the current maximum atomIndex and then add 1
> to it. Unless deleted atomIndex numbers are refused this should work.
>
> Have you tried my other proposal to store the old atoms as an atomset
> and use the set to determine the new atom?
> This should work in any case.
>
> Regards,
> Rolf
>
>
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--
Otis Rothenberger
http://chemagic.org
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