[chimera-dev] Coordination bonds treated as covalent

[Jean Didier Pie Marechal]

Hi guys,

I am  preparing a movie in which I want an organometallic compound linked to an organic one to rotate around the bound between both moieties. Do to so, I need the whole first coordination sphere of the metal and the metal itself to behave as a unique block. If I generate bonds with chimera (covalent) I can do that. Unfortunately, if I keep the session and open back, the bonds have been changed by pseudo bonds (which is actually A LOT BETTER!) but pseudo bonds does not allow the first coordination sphere to behave as a block. I wonder what is the best to solve this problem? Can atoms related by pseudobonds be set (even from the python shell) to be rigid?

All the best,
JD
 

Dr. Jean-Didier Maréchal
Associate Professor
The Computational Biotechnological Chemistry Team
Unitat de Química Física
Departament de Química
Universitat Autònoma de Barcelona
Edifici C.n.
08193 Cerdanyola (Barcelona)
Tel: +34.935814936
e-mail: JeanDidier.Marechal at uab.es
www: http://asklipio.qf.uab.es