> In practice, of course, Jmol will get > a file with "fractional charge" and you have no idea of the provenance. > Only CML can resolve that.
So, why doesn't CML define a 'fractional charge' field, ... with some kind of flexible identifier for identifying the type of calculation used to determine the fractional charge? Miguel ------------------------------------------------------- This SF.Net email is sponsored by: Oracle 10g Get certified on the hottest thing ever to hit the market... Oracle 10g. Take an Oracle 10g class now, and we'll give you the exam FREE. http://ads.osdn.com/?ad_id=3149&alloc_id=8166&op=click _______________________________________________ Jmol-developers mailing list [EMAIL PROTECTED] https://lists.sourceforge.net/lists/listinfo/jmol-developers
