Subject: solvent accessible surface

From: <[email-masked]>
Date: Tue, 11 Feb 1997 18:52:31 +0100 (CET)

dear netters,

I am looking for a program or routine to compute the EXACT solvent accessible
surface area of molecules.

Any help is appreciated.

Thanx

Luigi

--------------------------------------------------------------------------------
| Dr. Luigi Cavallo                                                            |
| Department Of Chemistry              Fax   : ++39-81-5527771                 |
| University Of Naples                 Ph    : ++39-81-5476535                 |
| Via Mezzocannone 4                   Email : [email-masked]   |
| I-80134 Naples, ITALY                                                        |
--------------------------------------------------------------------------------

---

From: [email-masked] (C.S.RAMAN)
Date: Tue, 11 Feb 1997 16:36:44 -0600 (CST)

> surface area of molecules.

For small molecules (and large ones as well) try GEPOL available via
QCPE.  If you are interested in proteins then ACCESS is available
free-of-charge from Yale U ([email-masked]).  The Molecular
Surface Package (MSP) also does a wonderful job of this in addition to
other calculations like estimataing cavities etc., ([email-masked]).
There are others who provide programs as well:  Simon Brocklehurst
(NAOMI/naccess) and Frank Eisenhaber ([email-masked]).

Cheers
-raman
______________________________________________________________________
C.S.Raman                              Tel: (210) 614-0839
Dept. of Biochemistry                  Fax: (210) 567-2490
University of Texas                    email:[email-masked]
Health Science Center
7703 Floyd Curl Drive                     
San Antonio, TX, 78284-7760  U.S.A.
----------------------------------------------------------------------
     The real problem in speech is not precise language.  
     The problem is clear language. --Richard Feynman
______________________________________________________________________

---

From: bruno <[email-masked]>
Date: Tue, 11 Feb 1997 23:34:42 +0100

[email-masked] wrote:
> -------This is added Automatically by the Software--------
> -- Original Sender Envelope Address: [email-masked]
> -- Original Sender From: Address: [email-masked]
> [email-masked]: Everybody | [email-masked]: Coordinator
> [email-masked]: HELP CHEMISTRY or HELP SEARCH | Gopher: www.ccl.net 73
> Anon. ftp: www.ccl.net   | [email-masked] -- archive search
>              Web: http://www.ccl.net/chemistry.html
Try Naccess v2.0 - Atomic solvent accessible areas Written by Simon
Hubbard, at this URL:
http://www.biochem.ucl.ac.uk/~roman/naccess/naccess.html
Hope it helps
Bruno
-- 
Dr Bruno Manunza
DISAABA - Environmental Sciences Dept.
V.le ITALIA 39
07100 SASSARI, ITALY
phone 39 79 229215
fax   39 79 229276
e-mail: [email-masked]
e-mail: [email-masked]
e-mail: [email-masked]