ó
¯™xTc           @   sd   d  d l  m Z d  d l m Z d  d l m Z m Z d Z d „  Z e	 d k r` e ƒ  d GHn  d S(	   iÿÿÿÿ(   t   division(   t   flex(   t   servert   pdb_interpretations—  CRYST1   26.960   29.455   29.841  90.00  90.00  90.00 P 21 21 21
ATOM      1  N   TYR A  20      10.702  10.331   8.954  1.00 23.81           N
ATOM      2  CA  TYR A  20      11.170   9.547   7.817  1.00 35.69           C
ATOM      3  C   TYR A  20      10.082   8.601   7.319  1.00 28.94           C
ATOM      4  O   TYR A  20       9.756   7.616   7.982  1.00 25.26           O
ATOM      5  CB  TYR A  20      12.426   8.758   8.192  1.00 33.37           C
ATOM      6  CG  TYR A  20      13.016   7.958   7.052  1.00 31.48           C
ATOM      7  CD1 TYR A  20      13.847   8.558   6.115  1.00 36.91           C
ATOM      8  CD2 TYR A  20      12.747   6.602   6.916  1.00 21.36           C
ATOM      9  CE1 TYR A  20      14.389   7.832   5.071  1.00 36.56           C
ATOM     10  CE2 TYR A  20      13.285   5.868   5.875  1.00 29.56           C
ATOM     11  CZ  TYR A  20      14.105   6.487   4.957  1.00 35.08           C
ATOM     12  OH  TYR A  20      14.644   5.760   3.920  1.00 38.73           O
ATOM     13  N   ARG A  21       9.530   8.915   6.149  1.00 38.95           N
ATOM     14  CA  ARG A  21       8.473   8.118   5.525  1.00 38.77           C
ATOM     15  C   ARG A  21       7.250   7.963   6.428  1.00 27.69           C
ATOM     16  O   ARG A  21       7.134   6.992   7.176  1.00 22.82           O
ATOM     17  CB  ARG A  21       9.004   6.747   5.093  1.00 20.00           C
ATOM     18  CG  ARG A  21       8.015   5.920   4.285  1.00 20.00           C
ATOM     19  CD  ARG A  21       8.608   4.577   3.893  1.00 20.00           C
ATOM     20  NE  ARG A  21       7.671   3.771   3.116  1.00 20.00           N
ATOM     21  CZ  ARG A  21       7.939   2.556   2.649  1.00 20.00           C
ATOM     22  NH1 ARG A  21       9.121   2.001   2.879  1.00 20.00           N
ATOM     23  NH2 ARG A  21       7.025   1.895   1.951  1.00 20.00           N
ATOM     24  N   GLY A  22       6.340   8.929   6.351  1.00 24.85           N
ATOM     25  CA  GLY A  22       5.132   8.903   7.154  1.00 29.53           C
ATOM     26  C   GLY A  22       5.373   9.358   8.580  1.00 33.22           C
ATOM     27  O   GLY A  22       5.196  10.531   8.906  1.00 30.06           O
c          C   s  t  j d t j ƒ  d t j ƒ  d t j t j ƒ  ƒ d t d t d d  ƒ }  |  j
 ƒ  } |  j j } | j ƒ  j ƒ  } | j j d | d d  d	 d
 ƒ t | j j ƒ d k s² t ‚ t j ƒ  } x’ | j ƒ  D]„ } x{ | j ƒ  D]m } xd | j ƒ  D]V } xM | j ƒ  D]? } x6 | j ƒ  D]( }	 | j d k r| j |	 j ƒ qqWqWqñ WqÞ WqË W| j d | ƒ }
 t |
 j j ƒ d k sƒt ‚ | j j d | ƒ t | j j ƒ d k s´t ‚ d  | j _ | j j d | d | d	 d
 ƒ t | j j ƒ d k sýt ‚ d  S(   Nt   mon_lib_srvt   ener_libt   raw_recordst   strict_conflict_handlingt   force_symmetryt   logt   pdb_hierarchyt	   selectiont   sigmag      @i   t   TYRt
   iselectioni   (   R   t   processR   R   R   t
   std_stringt	   pdb_str_1t
   splitlinest   Truet   Nonet   geometry_restraints_managert   all_chain_proxiesR
   t   atomst   extract_xyzt   generic_restraints_managert   add_c_beta_torsion_restraintst   lent   c_beta_dihedral_proxiest   AssertionErrort   size_tt   modelst   chainst   residue_groupst   atom_groupst   resnamet   appendt   i_seqt   selectt    remove_c_beta_torsion_restraints(   t   processed_pdb_filet   grmR
   t
   sites_cartt   tst_iselectiont   modelt   chaint   residue_groupt
   atom_groupt   atomt   grm2(    (    s]   /public2/ftp/pub/ccp4/6.5/ccp4-6.5/lib/py2/mmtbx/geometry_restraints/tst_c_beta_restraints.pyt
   exercise_1$   sD    		't   __main__t   OKN(
   t
   __future__R    t   cctbx.array_familyR   t   mmtbx.monomer_libraryR   R   R   R2   t   __name__(    (    (    s]   /public2/ftp/pub/ccp4/6.5/ccp4-6.5/lib/py2/mmtbx/geometry_restraints/tst_c_beta_restraints.pyt   <module>   s   	-