> There is also another somewhat related issue here. In Gaussian files, > one can have both the 'standard orientation' and 'z-matrix orientation' > in the output for each step in an optimization. The standard > orientation has a different center than the z-matrix (and can be > rotated too).
OK > If one does a animation and both of these orientations > get read as they come along in the file (i.e., alternating) you get a > very disorienting kind of animation. I just committed some Gaussian > files with z-matrix orientations in them. Check out, for instance, > RK_g03_scan.log. I'll take a look. > We could consider only reading one of the two, but I don't want to > enforce which data the user is able to see. So I hope that at one point > in time we can have separate separate sets of AtomSets animated, e.g., > a z-matrix branch or a standard orientation branch. (Which goes in the > direction of a hierarchy that I was talking about earlier. I am not > suggesting that I want to push it now, but it provides a bit of an > explanation of where I was coming from when I brought it up last week). I think that makes sense. > Cheers, > Ren� > > PS It is really nice to see those atomSetNames :-) ! Agreed! Miguel ------------------------------------------------------- This SF.net email is sponsored by: IT Product Guide on ITManagersJournal Use IT products in your business? Tell us what you think of them. Give us Your Opinions, Get Free ThinkGeek Gift Certificates! Click to find out more http://productguide.itmanagersjournal.com/guidepromo.tmpl _______________________________________________ Jmol-developers mailing list [EMAIL PROTECTED] https://lists.sourceforge.net/lists/listinfo/jmol-developers
