Bob,
On Fri, Oct 30, 2009 at 4:58 PM, Egon Willighagen
<[email protected]> wrote:
> I have no clue why the ModelSet return 2 for the second bond... the
> input is this MDL molfile:
I actually have a clue:
public int getBondModelIndex(int i) {
return bonds[i].atom1.atomIndex;
}
That should really say:
public int getBondModelIndex(int i) {
return bonds[i].atom1.modelIndex;
}
not?
Egon
--
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Homepage: http://egonw.github.com/
Blog: http://chem-bla-ics.blogspot.com/
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