On Wed, Jan 23, 2013 at 2:47 AM, Patrick Walters <wpwalt...@gmail.com> wrote: > If you're just looking for 6 membered rings, you can define a SMARTS that > matches 6 membered rings like this "*1~*~*~*~*~*1". You can also use this > approach to identify all rings (at least those within reason). You can use > an expression like this > ["*1"+string.join(["*~"]*x,"")+"*1" for x in range(1,19)]
Or you can do it that easy way right away. (I'm smacking myself for not thinking of that...) Thanks Pat! -greg ------------------------------------------------------------------------------ Master Visual Studio, SharePoint, SQL, ASP.NET, C# 2012, HTML5, CSS, MVC, Windows 8 Apps, JavaScript and much more. Keep your skills current with LearnDevNow - 3,200 step-by-step video tutorials by Microsoft MVPs and experts. ON SALE this month only -- learn more at: http://p.sf.net/sfu/learnnow-d2d _______________________________________________ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
