Selection class =============== .. function:: rmsd(selection1, frame1, selection2, frame2) Computes RMSD of two selections of the same size for given frames :return: RMSD value :rtype: float .. function:: fit(selection1, selection2) Fits *selection1* to *selection2* .. function:: fit_transform(selection1, selection2) Computes fit transform for fitting *selection1* to *selection2* :return: fit transform matrix :rtype: 4x4 matrix .. function:: non_bond_energy(selection1, selection2 [, cutoff=0.25 [, fr=-1 [, periodic=True]]]) Computes non-bond interaction energy between two selections within given cut-off distance. If *fr* is not specified the current frame of *selection1* is used. .. class:: Selection .. method:: __init__(system, sel_str) Create selection from selection string .. method:: __init__(system) Create empty selection bound to system .. method:: __init__(selection) Create selection from other selection .. method:: __init__(system, ind1, ind2) Create selection from the range of absolute indexes .. method:: __init__(system, seq) Create selection from the sequence of indexes :param sequence seq: list or tuple of indexes .. method:: size() Returns selection size .. method:: append(selection) Appends another selection to this one. .. method:: append(ind) Appends absolute index to selection. :param int ind: index to append .. method:: remove(sel) Removes all atoms of sel from current selection :param Selection sel: selection to remove .. method:: remove(ind) Removes absolute index from selection. :param int ind: index to remove .. method:: set_system(system) Sets new system for selection. .. warning:: This clears selection index and leaves it empty!