CCL: small molecule volume calculation

From: "Veronica Tello" <vtellof---gmail.com>
Subject: CCL: small molecule volume calculation
Date: Tue, 27 Feb 2007 20:11:46 -0500

 Sent to CCL by: "Veronica  Tello" [vtellof:_:gmail.com]
 Greetings.
 I have calculated the volume of some cavities on a protein using the on-line
 program CASTp (keeping the 1.4 probe radius). I wish to calculate the volume of
 some possible ligands and compare results.
 I have access to HyperChem7. Using it, I get very different volume values when
 choosing either Van der Waals surface or Sovent-Accesible Surface.
 Which option is better suited in this case? Can someone recomend a different
 program (preferably open-access)?
 Thank you very much.
 Veronica Tello F
 Instituto de Quimica, UNAM
 vtellof,+,gmail.com