Hi
A rough calculation is 18Å^3 per non-hydrogen atom in the ligand - I
use a pencil and a bit of paper for the mechanics of this!
On 13 Aug 2014, at Wed13 Aug 07:06, sreetama das wrote:
Dear all,
Is there any software or web server available to calculate the
volume of a ligand if the ligand coordinates are provided?
Google seems to come up only with options to calculate protein
cavity volume.
Thanks in advance,
Sreetama Das,
phd student,
Physics, IISc
Harry
--
** note change of address **
Dr Harry Powell, MRC Laboratory of Molecular Biology, Francis Crick
Avenue, Cambridge Biomedical Campus, Cambridge, CB2 0QH
Chairman of European Crystallographic Association SIG9
(Crystallographic Computing)
