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.
On Wed, Jun 23, 2010 at 2:58 PM, Prija Ponnan <firstname.lastname@example.org>
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.