From: Egon W. <ego...@gm...> - 2012-07-02 04:42:19
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Hi Lochana, On Mon, Jun 25, 2012 at 5:47 PM, lochana menikarachchi <loc...@ya...> wrote: > What is the boolean[] doubleBondConfiguration in chiralSMILES generator?? If not mistaken, this indicates whether the bond is E/Z or not... Egon -- Dr E.L. Willighagen Postdoctoral Researcher Department of Bioinformatics - BiGCaT Maastricht University (http://www.bigcat.unimaas.nl/) Homepage: http://egonw.github.com/ LinkedIn: http://se.linkedin.com/in/egonw Blog: http://chem-bla-ics.blogspot.com/ PubList: http://www.citeulike.org/user/egonw/tag/papers |