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
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Prija Ponnan
--
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 a
Try probe.
http://kinemage.biochem.duke.edu/software/probe.php
On Wed, Jun 23, 2010 at 11:37 AM, Prija Ponnan wrote:
> 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
>
