You can calculate volumes and much more, here:
http://www.molinspiration.com/cgi-bin/properties
Javier
On Wed, Aug 13, 2014 at 12:06 AM, 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
VOIDOO will do this
On 13 Aug 2014, at 2:06 AM, 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.
>
> Than
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 lig
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
