Re: [Jmol-users] spin/rotate consolidation -- request for comments

[Frieda Reichsman]

On Mar 18, 2006, at 1:05 AM, Bob Hanson wrote: OK! Here we go. I have completed a full rewrite of spin/rotate/center. I still have a day of testing to do on it, but it's very clean. The old "spin x, spin y, spin z, spin on/off" is still there, but I consider it deprecated. FAR better is a full complement of INTERNAL and FIXED frame rotations and spinning involving x, y, z, -x, -y, -z, arbitrary axisangle [x y z], designation of (atom sets) [x y z] coordinates, and [line1] draw objects for both fixed and internal spinning and rotating, and designation of two coordinates or two atom sets or an atom set and a coordinate for internal coordinate spinning. Test page will be at http://www.stolaf.edu/people/hansonr/jmol/test/json/spin.htm momentarily. Hi Bob, *Great* new capabilities for Jmol! Thanks so much for developing this. I think it will be very useful. I Have a couple of questions about rotations, from using the spin.htm page linked above. Question 1:  If you turn on the internal spin around a line, for example using these commands on your test page: draw line1 250 (atomno=1) (atomno=2);color draw yellow spin INTERNAL $line1 30 what is going on with the center of rotation for manipulation with the mouse? Rotating with the mouse either while the structure is spinning around its "line-axis" or after turning spin off, it seems that the structure is now rotating about a point that is unrelated to either the original center of rotation, or line1, and in fact the center of rotation is now a point outside the structure. I think it would be good if the center of rotation for mouse rotation became a point on line1, perhaps the mid-point of the line. If not, then IMO it should revert to the original or better yet to the previous center of rotation (for example if a subset of atoms had been centered). Question 2:  What does  spin off;rotate INTERNAL $line1 10; do compared to a simple "spin off"? I cannot tell the difference... Maybe this is supposed to set the point of rotation, but is broken? I am using Mac OSX 10.4.5, Safari 2.0.3 Frieda /////////////////////////////////////////// Frieda Reichsman, PhD Molecules in Motion Interactive Molecular Structures http://www.moleculesinmotion.com ///////////////////////////////////////////