Subject: Re: CCL:calculate chi angle, surface area

From: Anton Feenstra <feenstra{at}chem.vu.nl>
Date: Tue, 06 Jan 2004 08:00:11 +0100

Sivanesan Dakshanamurthy wrote:

> Dear All:
> 
> I looking for a program to calculate the following:
> 
> surface area of a protein, 'chi' angle of a given sidechain, to generate 3D graph of a given data apart from excel.

There are such tools in the Gromacs MD package, which can be downloaded
for free at www.gromacs.org. Look for g_chi, g_sas, and g_sgangle.

-- 
Groetjes,

Anton
  _____________ _______________________________________________________
|             |                                                       |
|  _   _  ___,| K. Anton Feenstra                                     |
| / \ / \'| | | Dept. of Pharmacochem. - Vrije Universiteit Amsterdam |
|(   |   )| | | De Boelelaan 1083 - 1081 HV Amsterdam - Netherlands   |
| \_/ \_/ | | | Tel: +31 20 44 47608 - Fax: +31 20 44 47610           |
|             | Feenstra{at}chem.vu.nl - www.chem.vu.nl/~feenstra/       |
|             | "If You See Me Getting High, Knock Me Down"           |
|             | (Red Hot Chili Peppers)                               |
|_____________|_______________________________________________________|