On 2005-03-22 (08:46) Miguel wrote:

>
>>G'day,
>>
>>There haven't been any further comments about this, so here is a
>>draft RFE covering the suggestions so far:
>
>=5Bsnip=5D
>
>Chris,
>
>Thank you very much for writing this up.
>
>It is quite helpful to have a well-defined specification of exactly
>what needs to be done ... even if it might seem obvious.
>
>

hello,

from a user's standpoint, the ability to click on atoms and view distances and 
angles is extremely useful.  from a developer's standpoint, though, I have 
found picking modes a royal pain (in Chime).

recently, I think it was off-list, Eric Martz suggested a feature that I think 
would be an excellent complement to this functionality.  I would like to hear 
what other developers think about it (with apologies to Eric).

when you click an atom in Jmol, the event returns a string describing the 
target atom.  assuming you have pickcallback implemented, you can capture this 
data and use it in Javascript.

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?


regards,

tim
-- 
Timothy Driscoll
molvisions - see, grasp, learn.
<http://www.molvisions.com/>
usa:north carolina:raleigh

"What a man desires, he also imagines to be true." - Demosthenes


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