Hi all, A few days ago, Bob Hanson mentioned that improved support for display of MD trajectories is on the docket for 11.7. I'm interested in surveying the lay of the land and possibly helping out with the coding for MD trajectory support. I have a couple questions/thoughts, mostly related to what's feasible given the underlying data structures.
1) Are there plans to support simultaneous display of multiple trajectories? 1a) If so, I'd be interested in coordinating the animation of multiple trajectories according to some global notion of time. This would allow for displaying ensembles of trajectories, each of which may start and/or end at a different time. I've hacked something like this together with multi-frame XYZ files and JavaScript, but it's prohibitively slow (each call to "display 1.10,2.5,3.1..." takes tenths of seconds on a Core 2 Duo); something internal to the applet would be much more efficient. 2) Are Jmol's data structures amenable to something like the above, or would it require enough of a re-write that it would cause more trouble than it would solve? I've worked with Jmol before (on the development side), but I don't have enough experience to answer that one. This kind of thing is clearly an edge-case compared to the single large trajectory that's so common, but it's something no other visualization tool I know of can do (let alone one that can be embedded in a web page to monitor a running simulation.) As I said above, I'm willing to help out on it if you all think it would be a useful thing to have. Cheers, Matt Zwier ------------------------------------------------------------------------- This SF.Net email is sponsored by the Moblin Your Move Developer's challenge Build the coolest Linux based applications with Moblin SDK & win great prizes Grand prize is a trip for two to an Open Source event anywhere in the world http://moblin-contest.org/redirect.php?banner_id=100&url=/ _______________________________________________ Jmol-developers mailing list Jmol-developers@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/jmol-developers
