>> (A note regarding rotations and zooms. I think that it would be very >> difficult to calculate and send 'deltas' to the current x, y, and z >> rotations. Instead, we will send the entire rotation matrix every >> time.) > > Don't know if it can be usefull, but Todd carlson created an algorithm > to calculate these deltas between two positions in Chime. The program is > in JavaScript, and use inputs from chime to know the actual position of > the molecule and compute the desired calculations. Todd Carlson wanted > this algorithm to be implemented directly in Chime, but this never > occured. Might be a good idea to add this in Jmol ;-)
Perhaps. Let me remind you that I have *never* built a Chime web app ... or indeed any serious molecular visualization app. So, with that warning, here are my thoughts ... - I have heard other references to Todd's work, so I trust that it is good/useful - I wonder how much (if any) of Todd's algorithm was dealing with 'quirks' in Chime behavior - applying repeated relative changes (which involves multiplications) makes me uneasy because of accumulated rounding errors - the right way to do this is with additional script commands (or script command extensions) for rotations and translations that allow one to specify absolute positions, rather than relative changes - I think that calculating the absolute rotation value from a series of relative movements generally requires calculating eigenvectors. I assume that is why RasMol & Chime don't have a mechanism to get the 'current rotation settings' as absolute coordinates. > You can find it here : > http://faculty.gvsu.edu/carlsont/grant/moveto/right.htm I will certainly take a look at it. Miguel ------------------------------------------------------- This SF.net email is sponsored by: IBM Linux Tutorials. Become an expert in LINUX or just sharpen your skills. Sign up for IBM's Free Linux Tutorials. Learn everything from the bash shell to sys admin. Click now! http://ads.osdn.com/?ad_id=1278&alloc_id=3371&op=click _______________________________________________ Jmol-users mailing list [EMAIL PROTECTED] https://lists.sourceforge.net/lists/listinfo/jmol-users
