Subject: Re: Residue Based Solvent Accessible Area

From: [email-masked] (Joel Polowin)
Date: Mon, 27 Mar 95 13:34:48 -0500

> Can anyone out there tell me where I can get a program for calculating 
> the solvent accessible area for each individual residue in a given protein?

This can be done with HyperChem and the QSAR Properties module of ChemPlus.
One would select each residue, one at a time, and import the complete
structure into the module.  The solvent-accessible area is calculated only
for the selected part.  The process would be automated by an Excel macro
or a Visual Basic program.

Regards,
Joel
 
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Joel Polowin, Ph.D.   Manager, Scientific Support
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From: <[email-masked]>
Date: Mon, 27 Mar 1995 22:33:11 +0200 (WET-DST)

>From: Weifan Zheng <[email-masked]>

Hi Weifan,

If you are unable to access to a $_package, you can 
make it based on a QCPE program, such as those kindly
donated by Prof. Pearlman, Dr. Connolly and ... 
As I know, all calculate surface area by atoms. 
You can insert a subroutine and get the area by residues 
without too much effort.    

Ciao,

Bingze Wang
>From IRBM, Italy