The next release of Jmol (10.00.49) will include two new features:
(1) select/connect (revised)
select (source atom selection)
connect(target atom selection)
You specify:
a source atom selection,
a minimum distance (optional),
a maximum distance (optional),
a bond type (optional -- SINGLE
> Miguel, I'd like to commit this tonight and move on. It's really a
> very simple commit.
Go ahead and commit your changes.
> Leaves bondorder so that IF you like the 00.48
> funtionality, you can certainly still have it (I do, and would like to
> still have it). Removes nothing; completely con
Miguel, I'd like to commit this tonight and move on. It's really a
very simple commit. Leaves bondorder so that IF you like the 00.48
funtionality, you can certainly still have it (I do, and would like to
still have it). Removes nothing; completely consistent with 00.48
select/connect; only add
Miguel wrote:
We can talk about that later.
The current-but-soon-to-be-history mode of
connect DOUBLE
which DOES depend upon BONDMODE will continue in the form of
bondorder 2
for those who like that idea.
No, we are going to delete the 'bondorder' command.
I'd like to leave it. It DO
Hi Bob,
I tried it on my Mac (OS X 10.4.4) with Safari 2.0.3 and it all
seemed to work fine.
Pretty nifty.
René
On Feb 7, 2006, at 4:41 PM, Bob Hanson wrote:
Jmol developers and users -- applet:
I'm developing a simple JavaScript interface that could in
principle replace many or all req
> The loud silence of discussion re connect suggests that I can go ahead
> and implement my option -- which defaults to the same as current
> behavior for
Well it might mean that the two of us should now talk about it :-)
> select (atom set)
> connect (target atom set)
>
> but doesn't depend up
The loud silence of discussion re connect suggests that I can go ahead
and implement my option -- which defaults to the same as current
behavior for
select (atom set)
connect (target atom set)
but doesn't depend upon bondmode for any changing of order, because
order is determined at the time
Jmol developers and users -- applet:
I'm developing a simple JavaScript interface that could in principle
replace many or all requirements for applet callbacks. The development
page is at
http://www.stolaf.edu/people/hansonr/jmol/test/json/json.htm
This uses a so-far-unreleased version of th
> For this sort of information (I think all will agree), we should use
> simpler synchronous communication with the applet. This is what
> getProperty() now does. You make a query; the applet returns a value.
> Very straightforword.
Yes ... doing all these things through getProperty makes sense.
Bob Hanson wrote:
Chris, can you briefly summarize the state of the CUBIC project?
My research group at Cologne University Bioinformatics Center (CUBIC) is
developing some projects in NMR spectroscopy, including code for
computer-assisted structure elucidation and an NMR database named NMRShift
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