Dear Robert,
Many thanks, indeed, for your detailed answer.
That's exaclty the tools I was looking for.
Thus, I'am going to fully dedicate my attention to it now !
Thanks again.
Best regards.
Eric
Le 13 avr. 2012 à 06:48, Robert Hanson a écrit :
> 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 <eric.he...@univ-reims.fr> 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
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>
>
>
> --
> 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
> Jmol-developers@lists.sourceforge.net
> https://lists.sourceforge.net/lists/listinfo/jmol-developers
Eric Henon
Professeur
Universite de Reims Champagne-Ardenne
Institut de Chimie Moleculaire de Reims
http://www.univ-reims.fr/ICMR
CNRS UMR 6229
UFR des Sciences Exactes et Naturelles
BP 1039
51687 Reims Cedex 2 (France)
Tél./Fax : + 33 (0) 3 26 91 84 97
eric.he...@univ-reims.fr
------------------------------------------------------------------------------
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
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