I was told many years ago a rough rule of thumb is - count the number of
atoms, including hydrogens and multiply that by 10 - average atomic
volume in a molecule..
Eleanor
Brad Bennett wrote:
Hi all:
Is there an online tool or Windows downloadable software program that
will allow me to calculate the volume of bound ligands directly from a
PDB file? I really just need the angstroms^3 values and that's it
(I've got this from VOIDOO before but am having problems with this
program at present). I have to do this for several ligands bound to
several different proteins whose structures have been solved, thus, I
need more of a quick-n-dirty, straightforward program if possible.
Thanks!
Brad
--
Brad C Bennett
Postdoctoral Research Assistant
Department of Biochemistry,
Cellular and Molecular Biology
(BCMB)
University of Tennessee-Knoxville
865-974-3045
[EMAIL PROTECTED]
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