VMD-L Mailing List

From: John Stone (johns_at_ks.uiuc.edu)
Date: Wed Feb 08 2006 - 18:06:43 CST

Marc,
  As you've discovered, the existing implementation of these code modules
doesn't allow you to do everything that the mouse is able to do. With some
work you could probably add additional tools to allow the kinds of manipulation
you have in mind, but they aren't there now. I agree with your assessment
that it would be handy to be able to make these devices capable of the
type manipulations you have in mind. If you're interested in working on
this and writing new Tool objects for that purpose I can try and help you
get that done.

  John Stone
  vmd_at_ks.uiuc.edu

On Fri, Feb 03, 2006 at 06:50:15PM +0100, Marc Baaden wrote:
>
> Hi,
>
> I am looking for an equivalent to the Mouse->Move->Molecule option that
> would work with either a Spaceball or ideally a Phantom as tool to manipulate
> the molecules.
>
> I first went for the Grab tool, but it has the inconvenience (for my case)
> that it does not change the actual coordinates of the moved molecules but
> only the actual view. This has a number of drawbacks when trying to construct
> a complex system composed of several molecules. [ Eg One of the (disturbing)
> consequences is that when you then try to rotate the overall system, each
> individual molecule rotates around its own center and not about a common one.]
>
> I also tried to use a spaceball for positioning, while toggling the fixed flags
> for the molecules I did not want to change. But this also affects the view
> only.
>
> The Mouse->Move->Molecule option does however do the right thing.
> Is it possible to have atomic coordinates updated with the Grab tool or when
> using the spaceball ?
>
> Thanks in advance,
> Marc Baaden
>
>
> NB: I tried to hack the Grab Tool, but haven't yet been able to find out how
> to convert the desired translation in tool/world coordinates to the
> corresponding translation in molecule/atomic coordinates. The same goes
> for rotation. Any suggestions ?
> --
> Dr. Marc Baaden - Institut de Biologie Physico-Chimique, Paris
> mailto:baaden_at_smplinux.de - http://www.baaden.ibpc.fr
> FAX: +33 15841 5026 - Tel: +33 15841 5176 ou +33 609 843217
> 

-- 
NIH Resource for Macromolecular Modeling and Bioinformatics
Beckman Institute for Advanced Science and Technology
University of Illinois, 405 N. Mathews Ave, Urbana, IL 61801
Email: johns_at_ks.uiuc.edu                 Phone: 217-244-3349
  WWW: http://www.ks.uiuc.edu/~johns/      Fax: 217-244-6078