Egon wrote: >> > color atoms partialCharge >> >> Ack, tried to implement this (see commits) but it does not work... >> Can you have a look at the commit I made?
Sure will. > Forgot to mention that "Atom" in > org.openscience.jmol.viewer.dataModel does > not yet 'do' partial charges... I was not sure how that was to be > implemented in that class... also the constructor needed to be > updated I think, which I was hesitative to do, becuase I have no > idea what would be broken then.... That's OK. I made a reference to this a few days ago in one of my emails: > Stage 2 - jmol.viewer.datamodel.Atom changes > * add a float charge field to the datamodel.atom data structure > * pass the float through the FrameBuilder and store it We will start off implementing it as a float. Then we will move it out of the Atom (since it is almost always NaN for large molecules). I will look at the code that you checked it. 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
