Hi The issue is, atom coordinates DO NOT change when you rotate the model. That's because the axes rotate as well.
> > But just for my education - is there any way to get "current" coordinates > > of particular atom, which theoretically makes possible (because we know > > coordinates of the center) to calculate desired rotation? So that's not really the question. It's rotation of the view, not change in coordinates. And that's what "show orientation" or "show moveto" gives, the absolute movement needed with respect to the initial orientation (achieved upon loading or using the "reset" command) Then there is the quaternion stuff, all related to translation and rotation, but I cannot help with that. I also doubt that you need it. http://chemapps.stolaf.edu/jmol/docs/#jmolmathjmolquaternionmath and many more places in the doc One point is there's no way to automatically determine the orientation that puts a residue "at the front for a best view". If you do that manually, then moveto is all you should need. ------------------------------------------------------------------------------ Dive into the World of Parallel Programming The Go Parallel Website, sponsored by Intel and developed in partnership with Slashdot Media, is your hub for all things parallel software development, from weekly thought leadership blogs to news, videos, case studies, tutorials and more. Take a look and join the conversation now. http://goparallel.sourceforge.net/ _______________________________________________ Jmol-users mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/jmol-users
