VMD-L Mailing List

From: Marc Baaden (baaden_at_smplinux.de)
Date: Fri Feb 03 2006 - 11:50:15 CST

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