Not wholly unrelated to my previous post. The id/name of a molecule (first line, e.g. "Commic Acid ID 165413") is lost when I write the molecule using write() in SDWriter... any idea how to set this ? As this is not a "normal" end-of-file, > prefixed property.
Thanks Jean-Paul Ebejer Early Stage Researcher ------------------------------------------------------------------------------ BlackBerry® DevCon Americas, Oct. 18-20, San Francisco, CA The must-attend event for mobile developers. Connect with experts. Get tools for creating Super Apps. See the latest technologies. Sessions, hands-on labs, demos & much more. Register early & save! http://p.sf.net/sfu/rim-blackberry-1 _______________________________________________ Rdkit-discuss mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
