From owner-chemistry _-at-_)ccl.net Sun Jan 30 23:56:01 2011
From: "Sumitro Harjanto sharjanto[*]i2r.a-star.edu.sg" <owner-chemistry**server.ccl.net>
To: CCL
Subject: CCL: Calculating surface hydrophobicity
Message-Id: <-43801-110130222804-22800-NWo+A2ARhyirWOxTdCANSg**server.ccl.net>
X-Original-From: "Sumitro  Harjanto" <sharjanto|a|i2r.a-star.edu.sg>
Date: Sun, 30 Jan 2011 22:28:02 -0500


Sent to CCL by: "Sumitro  Harjanto" [sharjanto::i2r.a-star.edu.sg]
Hi ,

I want to calculate the surface hydrophobicity of a protein molecule, but so 
far I only manage to use atomic partial charges as the estimate of the surface 
hydrophobicity, anyone can provide me some insight on how well is that as an 
estimate..?

Also, it will be great help if anyone knows of any software/webtools/ that 
calculates surface hyrdrophobicity of protein, which generates some kind of 
grid output file. Thanks!

(btw, my input file is in .pdb format)

Cheers,
Sumitro