The reason I didn't go further with sp3d2 etc. is that it gets complicated pretty fast. Just take sp3 and sp2 lobes and configure them as desired. I think I'll add something like this:

select <some atom>

lcaoCartoon "h" {atomno}  # for "hybrid" to this atom
lcaoCartoon "-h" {atomno}  # for "hybrid" away from this atom

feature request, please...


On Fri, Aug 27, 2010 at 11:42 AM, Egon Willighagen <> wrote:
On Fri, Aug 27, 2010 at 4:44 PM, Robert Hanson <> wrote:
> sp3d2 and sp3d are really just combinations of sp2 or p orbitals and lobes,
> right? So it's the same thing. Just direct them where you want them -- or is
> that the problem, you haven't figured out how to direct the lobes where you
> want them? That may not be well documented...

Ah, indeed I have not... I quite liked the sp3[a-d] set up, so did not
think of pointing them in some direction... I'll try to deduce it from
the docs...


Dr E.L. Willighagen
Post-doc @ Uppsala University (only until 2010-09-30)
Proteochemometrics / Bioclipse Group of Prof. Jarl Wikberg

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