On Jan 17, 2006, at 4:07 p, Miguel wrote:
The Jmol scripting language needs a commmand for explicitly
creating a bond.
this would be sweet.
What should the command be called?
----------------------------------
If this is a script command to create bonds then it seems that it
should
be called 'bond' ... the verb bond.
Then again, the other script commands are called 'spacefill' and
'wireframe', not 'atom' and 'bond'. This has the advantage in that
there
is not confusion between the command name and the abstract concept/
object.
Q: Thoughts on script command name? Do you like 'bond' or 'link' or
something else?
link is not bad. how about connect? or join?
How are atoms specified?
------------------------
The 'monitor' command in rasmol takes atom numbers as arguments. I
don't
like this.
why not? atom numbers, while not entirely unique, are closer to
unique than anything else. and I do like Eric's idea of being able
to use xyz coordinates as an alternate syntax.
We already have a very flexible and powerful mechanism for specifying
atoms. Atom expressions allow us to select atom sets based upon a
number
of characteristics.
The 'link' command should use atom sets to specify the atoms.
perhaps I'm confused, but what would be the end use of the link
command? I thought it would be used to add a single connection, say
for illustrative purposes. in this case, I would vote for a simple
mechanism similar to the current monitor command. but then, I am
certainly open to being convinced otherwise.
tim
--
Timothy Driscoll em: [EMAIL PROTECTED]
molvisions - see. grasp. learn. ph: 919-368-2667
<http://www.molvisions.com/> im: molvisions
usa:virginia:blacksburg tx: [EMAIL PROTECTED]
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