On 8 October 2010 09:17, Noel O'Boyle <baoille...@gmail.com> wrote: > On 7 October 2010 21:15, Geoffrey Hutchison <ge...@geoffhutchison.net> wrote: >>> I've spent a little while on this, but it's all new to me and a bit >>> tricky. About half of the failings are caused by -N3, the azide >> >> OK, first batch done. I'll take a look at the rest tonight or tomorrow. > > I'm not seeing any improvement. I'll have another go later. The IMPVAL > value is the number of bonds the matching atom can make (where a > double bond counts as 2 bonds)...right?
Let me rephrase my previous email now that I'm awake..."Look's like you've sorted it all out, Geoff. Thanks!" >> -Geoff >> >> > ------------------------------------------------------------------------------ Beautiful is writing same markup. Internet Explorer 9 supports standards for HTML5, CSS3, SVG 1.1, ECMAScript5, and DOM L2 & L3. Spend less time writing and rewriting code and more time creating great experiences on the web. Be a part of the beta today. http://p.sf.net/sfu/beautyoftheweb _______________________________________________ OpenBabel-Devel mailing list OpenBabel-Devel@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-devel
