# Example for: model.superpose() # This will use a given alignment to superpose Calpha atoms of # one structure (2ctx) on the other (1fas). env = environ() mdl = model(env, file='1fas') mdl2 = model(env, file='2ctx') aln = alignment(env, file='toxin.ali', align_codes=('1fas', '2ctx')) mdl.pick_atoms(aln, pick_atoms_set=1, atom_types='CA') mdl.superpose(mdl2, aln) mdl2.write(file='2ctx.fit')