Dear JP, On Tue, Aug 2, 2011 at 11:43 AM, JP <[email protected]> wrote: > Not wholly unrelated to my previous post.
And my answer is in the answer to that one. :-) > 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. The property that is used for the first line of mol blocks has a special name: "_Name". If you set that, it should be written to the mol block. -greg ------------------------------------------------------------------------------ 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
