Subject: RE: CCL:Program for calculating accessible surface area

From: [email-masked]
Date: Thu, 10 Mar 1994 18:29:38 EST

From:	NAME: JARRINM
	TEL: N/A
	ADDR: STUDENT <JARRINM@AM@WOODS>
To:	NAME: MX%"[email-masked]" <MX%"[email-masked]"@MRGATE@WOODS>
CC:	[email-masked]@INTERNET

	With CHARMm it si possible to calulate both accessible and contact
surface areas. The algorithm used calculates the Lee and Richards surface.
Look up these two papers to get a better idea:
Lee, B.; Richards, F. M. "The interpretation of Protein Structures: Estimation
of Static Accessibility"; J. Mol. Biol. 1971, 55, 379.

Richrds, F. M. "Areas, Volumes, Packing, and Protein Structure" Ann. Rev.
Biophys. Bioeng. 1977, 6, 151-176.

I belive there is a program available from QCPE that uses the Lee and Richards
method. Good Luck.

Mario A. Jarrin
Chemistry Department
U. of Massachusetts at Lowell
Lowell, MA 02148