Get Coordinates II
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from pymol import cmd from pymol import stored stored.xyz = [] cmd.iterate_state(1,"pept","stored.xyz.append([x,y,z])") # at this point, stored.xyz is a native Python array holding # the coordinates, which you can modify as required stored.xyz = map(lambda v:[-v[1],v[0],v[2]],stored.xyz) # and now you can update the internal coordinate sets cmd.alter_state(1,"pept","(x,y,z)=stored.xyz.pop(0)")