>>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? > > Because we want to avoid bloat. An atom can have (at least). > fractional charge [snip] > CML took an early decision only to formalise those concepts which were > required to describe *what the molecule is*. The things above, though > highly important are not required for that. They can all be included > through dictionaries. The dictionaries can be split do that different sub > groups can choose the most relevant
OK, so I understand that dictionaries can be used to extend the atom attributes into more specific subdomains. Thanks, 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
