Yes, coumarin is not sperical and so its diificult to calculate the radius
by determining its volume.
I am given task to calculate the vdw radius of a diacetoxy coumarin molecule
and I happen to find that PYMOL has an option to label vdw radius. But the
PYMOL could label vdw radius of individual atom. Can anyone suggest me how i
could determine vdw radius using any software.
Thank you
On Wed, Jun 23, 2010 at 2:58 PM, Prija Ponnan <prija.pon...@gmail.com>wrote:
> Hello
>
> I want to determine van der waals radius of a coumarin molecule.
> Pymol has an option to calculate van der waals radius, but it calculate
> vdw radius of individual atoms.
> Is it possible to determine vdw radius of the molecule as a whole.
>
> Thank you
>
> --
> Prija Ponnan
>
--
Prija Ponnan
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