[PyMOL] get_dihedral for multiple files(states of a movie)

2013-01-10 Thread Tasneem Ali
Hello all, I have generated a movie of 300 snapshots (MD simulation trajectory). How can i calculate dihedral angles for same four atoms across the trajectory (or a movie)?? I mean get_dihedral 58/n,58/c,58/ca,58/cb values 300 times for each snapshot. Regards Tasneem

Re: [PyMOL] get_dihedral for multiple files(states of a movie)

2013-01-10 Thread Thomas Holder
Hi Tasneem, python for state in range(1, cmd.count_states() + 1): angle = cmd.get_dihedral(58/N, 58/C, 58/CA, 58/CB, state) print state, angle python end Cheers, Thomas Tasneem Ali wrote, On 01/10/13 17:08: Hello all, I have generated a movie of 300 snapshots (MD simulation