ó
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   } | j j j   } | j |  | j j j d d  } | j |  x t |  D]z \ }	 }
 | j j j d	 d
 |	 d  } | j |  | j j j d |
 j   j  } | j |  | j |
 j    që W| j d |  d k st  d  S(   Ni˙˙˙˙(   t   utilst
   pdb_stringsś  CRYST1   20.000   60.000   50.000  90.00  90.00  90.00 P 1
HETATM 1690 ZN    ZN X   1     -14.031  10.147  -2.484  1.00 14.71      ION ZN2+
HETATM 1699 CL    CL X  10     -16.305  10.413  -3.294  0.94 15.45      ION CL1-
HETATM 1700 CL    CL X  11     -13.440   1.272 -23.660  0.64 21.31      ION CL1-
HETATM 1691 MG    MG X   2     -14.099  16.408  -0.840  1.00 14.87      ION MG2+
HETATM 1692 CD    CD X   3      -5.302  -1.809  -1.327  1.00 14.78      ION CD2+
HETATM 1693 CD    CD X   4      -8.287 -11.927 -43.776  1.00 14.70      ION CD2+
HETATM 1703 CL    CL X  14      -2.713  20.673 -12.004  0.79 20.10      ION CL1-
HETATM 1694 NI    NI X   5      -5.160  20.798 -11.755  0.93 14.92      ION NI2+
HETATM 1695 CA    CA X   6      -7.922 -11.718  -0.402  0.74 16.82      ION CA2+
HETATM 1696 CD    CD X   7     -16.886 -19.039 -34.333  0.61 15.22      ION CD2+
HETATM 1701 CL    CL X  12     -10.068 -10.650   0.239  0.53 22.83      ION CL1-
t	   pdb_atomst   xray_structuret   idt   Xt   resseqs   %4di   t   resnamet   crystal_symmetrysb  CRYST1   20.000   60.000   50.000  90.00  90.00  90.00 P 1
SCALE1      0.050000  0.000000  0.000000        0.00000
SCALE2      0.000000  0.016667  0.000000        0.00000
SCALE3      0.000000  0.000000  0.020000        0.00000
HETATM 1692 CD    CD X   1      -5.302  -1.809  -1.327  1.00 14.78      ION CD2+
HETATM 1693 CD    CD X   2      -8.287 -11.927 -43.776  1.00 14.70      ION CD2+
HETATM 1696 CD    CD X   3     -16.886 -19.039 -34.333  0.61 15.22      ION CD2+
HETATM 1690 ZN    ZN X   4     -14.031  10.147  -2.484  1.00 14.71      ION ZN2+
HETATM 1694 NI    NI X   5      -5.160  20.798 -11.755  0.93 14.92      ION NI2+
HETATM 1695 CA    CA X   6      -7.922 -11.718  -0.402  0.74 16.82      ION CA2+
HETATM 1699 CL    CL X   7     -16.305  10.413  -3.294  0.94 15.45      ION CL1-
HETATM 1703 CL    CL X   8      -2.713  20.673 -12.004  0.79 20.10      ION CL1-
HETATM 1700 CL    CL X   9     -13.440   1.272 -23.660  0.64 21.31      ION CL1-
HETATM 1701 CL    CL X  10     -10.068 -10.650   0.239  0.53 22.83      ION CL1-
HETATM 1691 MG    MG X  11     -14.099  16.408  -0.840  1.00 14.87      ION MG2+
TER
(   t
   mmtbx.ionsR   t   iotbx.pdb.hierarchyt   pdbt	   hierarchyt   inputt   xray_structure_simplet   atomst   sort_atoms_permutationt   selectt   roott   modelt   append_modelt   chaint   append_chaint	   enumeratet   residue_groupt   append_residue_groupt
   atom_groupt   parentR   t   append_atom_groupt   append_atomt   detached_copyt   as_pdb_stringt   AssertionError(   t	   ion_utilst   iotbxt   pdb_int   xrsR   t   permR   R   R   t   kt   atomt   rgt   ag(    (    sB   /public2/ftp/pub/ccp4/6.5/ccp4-6.5/lib/py2/mmtbx/ions/tst_utils.pyt   exercise   s0    			 !t   __main__t   OKN(   t
   __future__R    R+   t   __name__(    (    (    sB   /public2/ftp/pub/ccp4/6.5/ccp4-6.5/lib/py2/mmtbx/ions/tst_utils.pyt   <module>   s   	6