Subject: Re: CCL:Ring detection

From: Geoff Hutchison <hutchisn[at]chem.northwestern.edu>
Date: Sat, 27 Sep 2003 19:04:19 -0500

> Can anyone point me to a code [preferably fortran ,{I know}] for
> determining rings and size for atoms, given a connectivity list?

I can't point you to a Fortran code for it, but I can point you to 
several open source codes that do this:

OpenBabel (C++): http://openbabel.sf.net/
JOELib (Java): http://joelib.sf.net/
CDK (Java): http://cdk.sf.net/

There are undoubtedly other codes, but I'm the most familiar with these 
three.

Cheers,
-Geoff

--
-Geoff Hutchison		<hutchisn[at]chem.northwestern.edu>
Ratner/Marks Groups	(847) 491-3295
Northwestern Chemistry	http://www.chem.northwestern.edu/