From chemistry-request@ccl.net Tue Aug 13 18:54:19 1991
Date: Tue, 13 Aug 1991 15:28:38 PDT
From: "W. Todd Wipke" <wipke@SECS.UCSC.EDU>
To: chemistry@ccl.net
Subject: Molecular Surface Areas                                         
Status: R

>>From: "Scott Le Grand" <SML108@PSUVM.PSU.EDU>
>>To: chemistry@ccl.net
>> 
>>Quick question:  What is the fastest molecular surface area algorithm
>>currently available?  Answer by e-mail or publicly.  I will summarize
>>all replies and repost them.  I know about the standard approaches, but
>>they seem too slow for my purposes.
>> 
>>Thanks in advance,
>>Scott

See Clark Still, et. al. "A rapid approx to the solvent accessible
         surface areas of atoms" Tetrahedron Comput. Methodol. 1988, 1,
         103-116, and disk 4 of that issue(2) which contains ATAREA.FOR
         CKSURF.FOR and some MacroModel files for confirming validity.

Todd Wipke
wipke@secs.ucsc.edu