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Subject: Re: Calculating volume of Ligands
From: Eleanor Dodson ccp4 {- at -} YSBL {- dot -} YORK {- dot -} AC {- dot -} UK
Date: 2008-01-16
It isnt a bad approximation for any organic compound to take the number
of atoms including hydrogens, and multiply it by 10A^^3
Eleanor Dodson
Rajan Pillai wrote:
> Hi All,
>
> Can anyone tell me any program that calculates voume of a ligand? Moreover,
> is there also any program that can calculate the volume of a ligand from its
> coordinates?
>
> Thanks,
>
> Rajan.
>
>
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