Hi If I have understood it correctly, and my testing suggests so, loading several models with the TRAJECTORY keyword makes a single set of atoms and bonds, where only coordinates change along frames. Therefore, bonding is not recalculated when playing the animation. However, I read that cartoons are recalculated and redrawn.
I understand that all this is done so to save memory and to speed up things -like in rendering molecular dynamics-. My question is, how costly would it be to recalculate bonding at each step of the trajectory? This would be helpful e.g. in animating MD trajectories with reaction mechanisms, where some bonds are broken and others formed. The calculation would mean to draw or not the bonds according to atom distance and Jmol default autobonding algorithm. Such recalculation could be optional, nondefault, and if needed could be restricted to a user-specified set of atoms. ------------------------------------------------------------------------- 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 [email protected] https://lists.sourceforge.net/lists/listinfo/jmol-developers
