def test_set_phipsi(): cmd.reinitialize() cmd.fab('ACDEF', 'm1') psico.editing.set_phipsi('all', 160, 160) psico.editing.set_phipsi('resi 2+4', 120) psico.editing.set_phipsi('resi 3+4', psi=-140) assert cmd.get_phipsi('resi 2')['m1', 12] == approx((120., 160.)) assert cmd.get_phipsi('resi 3')['m1', 23] == approx((160., -140.)) assert cmd.get_phipsi('resi 4')['m1', 35] == approx((120., -140.))
def start(self,sel): self.lock = 1 cmd.iterate('(%s) and name CA' % sel,'idx2resn[model,index] = (resn, color, ss)', space={'idx2resn': self.canvas.idx2resn}) for model_index, (phi,psi) in cmd.get_phipsi(sel, self.state).iteritems(): print " Plotting Phi,Psi: %8.2f,%8.2f" % (phi, psi) self.canvas.plot(phi, psi, model_index) self.lock = 0
def start(self,sel): self.lock = 1 cmd.iterate('(%s) and name CA' % sel,'idx2resn[model,index] = (resn, color, ss)', space={'idx2resn': self.canvas.idx2resn}) for model_index, (phi,psi) in cmd.get_phipsi(sel).iteritems(): print " Plotting Phi,Psi: %8.2f,%8.2f" % (phi, psi) self.canvas.plot(phi, psi, model_index) self.lock = 0