547 496 4096 0.4 -1.207 hbond;
It's an internal message for Jmol, not for public use. Very specific to the
state. There's no real command equivalent, but it's something like:
connect {atomIndex= 547} {atomIndex=496} hbond
connect {atomIndex= 547} {atomIndex=496} radius @{0.4/2}
4096 is an internal code for the bond type, which is actually what is used.
-1.207 is the nominal hydrogen bond "energy" used in determining it in the
first place. It is viewable with
color hbonds energy
or
print {*}.bonds.all.label("%U1 %U2 %TYPE %ENERGY").find("hbond")
On Thu, Feb 13, 2014 at 8:06 PM, Vik, Steven <[email protected]> wrote:
> >
> >A question for anyone:
>
> How to interpret this information given in "state" file, presumably about
> hbonds
>
> function _setModelState() {
> data "connect_atoms"
> 547 496 4096 0.4 -1.207 hbond;
>
>
> Thanks in advance,
> -Steve
>
>
> ``````````````````
> Steven B. Vik
> Professor and Chair
> Department of Biological Sciences
> Southern Methodist University
> Dallas, TX 75275-0376
> 236 Dedman Life Sciences Bldg.
> Phone (214) 768-4228, Fax (214) 768-3955
> E-mail [email protected], WWW http://faculty.smu.edu/svik
> ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
>
>
>
>
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--
Robert M. Hanson
Larson-Anderson Professor of Chemistry
St. Olaf College
Northfield, MN
http://www.stolaf.edu/people/hansonr
If nature does not answer first what we want,
it is better to take what answer we get.
-- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900
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