On Tue, March 22, 2005 10:37 am, timothy driscoll said: > > Eric suggested that the atom click also return, in some fashion, distance > and angle data. for example, the distance would be the distance from the > clicked atom to the previously clicked atom; the angle would include the > previous two clicked atoms. the picking mode would not affect this data > flow, which is a key element - as a developer, I could store all of this > information for later use without having to deal with setting modes, > unsetting modes, etc. > > I think this idea has a lot of potential for development on top of Jmol. > I don't know how difficult it would be to implement in Jmol. any > thoughts?
How about just returning a data structure that has *everything* known about the atom: id, name, type, coordinates, distances/angles to bonded neighbours, etc.. That way the simple stuff is covered immediately. For displaying to the user and for non-bonded distances/angles (including torsion angles) then the routine will have to, somehow (modes or click-patterns), know what it is that the user is asking for. Rich ------------------------------------------------------- This SF.net email is sponsored by: 2005 Windows Mobile Application Contest Submit applications for Windows Mobile(tm)-based Pocket PCs or Smartphones for the chance to win $25,000 and application distribution. Enter today at http://ads.osdn.com/?ad_id=6882&alloc_id=15148&op=click _______________________________________________ Jmol-users mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/jmol-users
