lafita
commented
8 years ago In the point group calculation, the repeats are split into different chains, which is not needed, since the subunits are defined by arrays of Atoms (of the same length), and no chain or structure information is used. It would be useful to manipulate Atom parents as little as possible.
In the multiple repeats superposition we need to separate the atoms of each repeat from the structure, so that only the repeat atoms are shown in the alignment. This creates some problem because the links between the original atoms and its parent Groups, Chains and Structures get changed. A better separation of the atoms, or a different solution, have to be implemented.