I just checked in some code to include atom vectors in the calculations for molecule diameter. It is now the case that atom vectors do not go off the screen after a FitToScreen operation. For an example of this you can see samples/cs2.xyz.
Q: What are these atom vectors used for? What do they represent? There is one reference in the code to "atom vibrational vector", but I didn't see anyplace which was using these vectors for any type of calculations. Q: For me, the name is confusingly similar to the other Vectors. Can you suggest a better name? Q: How important are these atom vectors? Who uses them? - There are several bugs related to how these vectors are drawn, particularly with respect to the paint z-order. - These bugs existed in previous versions of jmol - There seem to be several "fudge factors" related to the screen representation of these atoms. Is the magnitude of them really not that important? - I could only find one example of an Atom Vector in samples ... samples/cs2.xyz. ------------------------------------------------------- This sf.net email is sponsored by:ThinkGeek Welcome to geek heaven. http://thinkgeek.com/sf _______________________________________________ Jmol-developers mailing list [EMAIL PROTECTED] https://lists.sourceforge.net/lists/listinfo/jmol-developers
