[Chimera-users] gaussian orbitals, Chimera-users Digest, Vol 62, Issue 11

Jonathan Hilmer jkhilmer at gmail.com
Mon Jun 9 12:57:50 PDT 2008


Hatuey,

If I remember correctly, you need to open the density map twice, then
contour at the same level for both maps: one at the positive value and
the other negative.  Each map is colored independently, so they can be
depicted however you want.


Jonathan

On Mon, Jun 9, 2008 at 1:00 PM,  <chimera-users-request at cgl.ucsf.edu> wrote:
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>   1. << Plotting Gaussian MO >> (Hatuey Hack)
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> ----------------------------------------------------------------------
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> Message: 1
> Date: Mon, 9 Jun 2008 10:24:29 -0300
> From: "Hatuey Hack" <hatuey.hack at gmail.com>
> Subject: [Chimera-users] << Plotting Gaussian MO >>
> To: chimera-users at cgl.ucsf.edu
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>        <612c95fa0806090624l5395ab11k6c9b235379e1a4fe at mail.gmail.com>
> Content-Type: text/plain; charset=ISO-8859-1
>
> Hi all,
>
> I have a cube file with the Molecular Orbitals calculated with Gaussian.
>
> When I load the cub file into Chimera, I am only seen half of the
> orbital surface.
>
> I would like to know what should I do to get the whole molecular
> orbital surface colored (as usually) with only to colors (each on for
> one half).
>
> Regards,
>
> Hatuey
>
>
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