Hi JD, I don't really understand your usage scenario. It seems to me that rotating around the chelation bond will either be like rotating around a hydrogen/heavy-atom bond (produces no relative motion) or around a ring bond (tears the structure apart). Nonetheless I think you can accomplish what you want one of two ways: 1) temporarily form a "real" bond with the metal and then destroy it afterward (bond/~bond commands) 2) use the roll command to rotate around the metal/chelating-atom axis (use an "axis" argument which is an atom spec selecting the metal and chelating atom; a "center" argument which is one of the two atoms; and a "models" argument which is the model(s) containing the metal and chelating residue). These arguments to the roll command are only available in the daily build. --Eric Eric Pettersen UCSF Computer Graphics Lab http://www.cgl.ucsf.edu On May 22, 2009, at 7:49 AM, Jean Didier Pie Marechal wrote:
Dear all, sorry to bother you again. I want to perform a conformational search rotating residues around their chelation bond with a metal. With the adjust torsion tool, I can't rotate around pseudo bond, and I actually need to transform the different pseudo bonds in bonds.
Could you authorize pseudo bonds to be rotated around? (in the contrary I'll continue with transforming pseudo bonds in bonds, but I thought that remaining with pseudo bonds is better especially when you do "add hydrogens" or other stuffs afterwards )
All the best, JD
Dr. Jean-Didier Maréchal Lecturer Computational Biotechnological Chemistry @ Transmet Unitat de Química Física Departament de Química Universitat Autònoma de Barcelona Edifici C.n. 08193 Cerdanyola (Barcelona)