patricia.a.elk...@gsk.com wrote: > I would like to understand the molecular sculpting possibilities of pymol > but haven't been able to figure it out yet. When using the wizard, the > first request is to click and atom but how to proceed from there? > > I have used the bit of script provided on the web page and deformed > the benzene ring but have not been clever enough to see the > possibilities > from that. > > Could anyone provide just enough of a step-by-step push-this, > click-that lead into the > molecular sculpting to get me started?
I don't know about the script or the wizard (yet), but I did try the sculpting demo in the Demo menu. You can then just drag atoms by left-clicking them while holding down the control key. The dragged atom moves, everything it is connected to is dragged along, and the structure tries to minimize its energy. Great fun! -- Lieven Buts Department of Ultrastructure Brussels Free University
