I would just like to re-iterate how useful and nice (and expected behaviour) it would be if when I have a mol instance with properties (which I painstakingly computed) and the .write() method in SDWriter actually writes them to file. I know there is a SetProps method ... but why do I have to do this everytime? Can it be a default? Or an optional parameter in the SDWriter constructor e.g. "writeProps=True" ?
Related discussion: http://www.mail-archive.com/[email protected]/msg01712.html 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
