Subject: Re: calculating cavity free volumes.

From: [email-masked]
Date: Thu, 18 Dec 1997 11:44:45 +0000

Hi ccler's,
I need help!!!
I have undertaken several PM3 calculations on bidentate complexes of 
Al (3:1), using GAMESS, and viewing the minimised molecule in chemx.
What I would like to do is xtract the central Al ion and measure the 
cavity produced.  Is this possible? If so how?
many thanks
Shaqil