Re: [PyMOL] unable to change phi angle of proline

2013-10-04 Thread Osvaldo Martin
Thanks Thomas, I tried your solution (adapted to my code) and now everything is working. def set_phi(res_num, res_name, phi): if res_num != 0 and res_name != 'PRO': cmd.set_dihedral('resi %s and name C' % (res_num-1), 'resi %s and name N' % res_num, 'resi %s and name CA' % res_num, '

Re: [PyMOL] unable to change phi angle of proline

2013-10-04 Thread Thomas Holder
Hi Osvaldo, unfortunately PyMOL doesn't handle to set dihedrals in rings, so you have to break the ring first. Consider this: def set_phi(resi, phi, state=1, quiet=1): x = cmd.index('(first (resi %s and guide)) extend 2 and name C+N+CA' % resi) try: a = cmd.get_model(x[2], state)

[PyMOL] unable to change phi angle of proline

2013-10-02 Thread Osvaldo Martin
Hi everybody, I can“t change the phi angle of proline using the function below. It works for all other amino acids. If quiet = 0, it prints the value of the variable "phi" (i.e. the value that the phi_angle should adopt). The phi angle of proline is always around ~11.0 def set_phi(res_num, phi):