Title: Re: [ccp4bb]: calculating volumes of ligands
The SPDBV can do this. Open a pdb file containing only the ligand.
Tools> molecular surface
Wind>cavities
This will give you a volume for the calculated surface
Kendall W. Nettles, PhD
Assistant Professor
Department of Biochemistry
The Scripps Research Institute
5353 Parkside Dr.
Jupiter Fl 33458
office 561-799-8851
fax 561-799-8972
cell 561-306-7566
From: George Lountos <[EMAIL PROTECTED]>
Date: Thu, 17 Nov 2005 14:44:17 -0500
To: <[email protected]>
Subject: [ccp4bb]: calculating volumes of ligands
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I would like to know if anyone has any suggestions for a good program that calculates the volumes of ligands and other small molecules.
Thanks,
George
George Lountos
PhD Student
School of Chemistry & Biochemistry
Georgia Institute of Technology
Atlanta, GA 30332
[EMAIL PROTECTED]
404-206-4214 (home), 404-376-3180 (cell)
Office/Lab: Institute for Bioengineering & Bioscience Room 1204, 404-894-4075
