Hi Jason,

thanks for the hint. That works just fine.


On Mon, Dec 14, 2009 at 11:12, Jason Vertrees <jason.vertrees@gmail.com> wrote:

Interesting question.  My best guess at this point is that PyMOL can't
do what you want.  You can load the XYZ file into multiple distinct

   load myXYZ.xyz, multiplex=1

and each object will be shown with proper bonding.  However, the
moment you try to combine those into one structure they retain the
bonding topology of the first structure.  If you change any
intermediate state, then they all change.

Anyone else?

-- Jason

Jason Vertrees, PhD

PyMOLWiki -- http://www.pymolwiki.org

On Mon, Dec 14, 2009 at 11:30 AM, Nicolas Bock <nicolasbock@gmail.com> wrote:
> Hello list,
> I have a bunch of xyz files that are along a transition path in a molecule.
> When I load all of them into pymol and step through the individual frames,
> pymol calculates the bonds only for the initial frame. This leads to wrong
> bonding in subsequent frames since some atoms move quite a bit during the
> transition. How can I get "dynamic" bonding so that bonding is recalculated
> for each frame?
> nick
> ------------------------------------------------------------------------------
> Return on Information:
> Google Enterprise Search pays you back
> Get the facts.
> http://p.sf.net/sfu/google-dev2dev
> _______________________________________________
> PyMOL-users mailing list (PyMOL-users@lists.sourceforge.net)
> Info Page: https://lists.sourceforge.net/lists/listinfo/pymol-users
> Archives: http://www.mail-archive.com/pymol-users@lists.sourceforge.net