Oh, yes! Absolutely! You can place it anywhere you want, around any set of
atoms, and then check its coordinates.
For example:
load =1crn
boundbox {1-3} // first
boundbox on
show boundbox
print boundboxinfo
getProperty boundboxinfo
print getProperty("BoundBoxInfo.corner1")
x = getProperty("BoundBoxInfo.corner0")
y = getProperty("BoundBoxInfo")
print y["corner0"]
That sort of thing. Also:
boundbox scale 2.0 {1-3}
boundbox {structureid="H2"} // second helix
On Thu, Apr 12, 2012 at 7:41 PM, eric henon <[email protected]>wrote:
> Hello,
>
> I'm new to Jmol; I'm interested
> in building, rotating, resizing
> an "independent" bounding box enclosing an active site
> in a protein, in order to finally get its cartesian coordinates.
>
> Is Jmol the appropriate tool/langage
> to do that ?
>
> Thanks in advance for your answer.
> Sincerely.
> Eric
>
>
>
>
>
> ------------------------------------------------------------------------------
> For Developers, A Lot Can Happen In A Second.
> Boundary is the first to Know...and Tell You.
> Monitor Your Applications in Ultra-Fine Resolution. Try it FREE!
> http://p.sf.net/sfu/Boundary-d2dvs2
> _______________________________________________
> Jmol-developers mailing list
> [email protected]
> https://lists.sourceforge.net/lists/listinfo/jmol-developers
>
--
Robert M. Hanson
Professor of Chemistry
St. Olaf College
1520 St. Olaf Ave.
Northfield, MN 55057
http://www.stolaf.edu/people/hansonr
phone: 507-786-3107
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
------------------------------------------------------------------------------
For Developers, A Lot Can Happen In A Second.
Boundary is the first to Know...and Tell You.
Monitor Your Applications in Ultra-Fine Resolution. Try it FREE!
http://p.sf.net/sfu/Boundary-d2dvs2
_______________________________________________
Jmol-developers mailing list
[email protected]
https://lists.sourceforge.net/lists/listinfo/jmol-developers
