
Hello, I am currently trying to write a python script to rotate different bonds automatically many many times. The idea is to randomly chose a bond of a .pdb-File and rotate it by a certain angle. In principle the command line tool "rotation" is exactly what I would like to use, but i have difficulties implementing it. To start with rotating only one bond I already got: import chimera from chimera import runCommand as rc opened = chimera.openModels.open('~/Documents/rho.pdb') #open protein rho = opened[0] #get random bond (it is set to bond 10 for now) b = rho.bonds[10] #gives back both atoms corresponding to the bond (atom IDs are needed for command line tool "rotation") b.atoms #select bond-atoms a1 = b.atoms[0] a2 = b.atoms[1] #now i would like to use command line tool "rotation", which gives many errors rc("rotation a1 a2 <angle>") So i think the problems are 1) objects a1, a2 have the wrong datatype 2) rc does not have access to a1, a2 Now i wonder if there is a solution at all to these problems or if i have to think of a completely different way? Thanks in advance, Lisa