ó
³™xTc           @   sV   d  d l  m Z d  d l Z d  d l Z d Z d „  Z e d k rR e ƒ  d GHn  d S(   iÿÿÿÿ(   t   divisionNsD  CRYST1   16.960   19.455   19.841  90.00  90.00  90.00 P 1
ATOM      1  N   ASP A  18      14.727  11.381  11.191  1.00 21.41           N
ATOM      2  CA  ASP A  18      14.022  12.655  11.131  1.00 34.70           C
ATOM      3  C   ASP A  18      13.805  13.085   9.684  1.00 35.50           C
ATOM      4  O   ASP A  18      14.760  13.408   8.976  1.00 38.48           O
ATOM      5  CB  ASP A  18      14.798  13.731  11.893  1.00 38.15           C
ATOM      6  CG  ASP A  18      14.068  15.059  11.937  1.00 27.39           C
ATOM      7  OD1 ASP A  18      13.282  15.275  12.883  1.00 35.78           O
ATOM      8  OD2 ASP A  18      14.282  15.889  11.028  1.00 30.67           O
ATOM      9  N   ASN A  19      12.544  13.082   9.257  1.00 22.94           N
ATOM     10  CA  ASN A  19      12.169  13.463   7.896  1.00 22.82           C
ATOM     11  C   ASN A  19      12.886  12.623   6.841  1.00 20.25           C
ATOM     12  O   ASN A  19      13.859  13.069   6.233  1.00 33.24           O
ATOM     13  CB  ASN A  19      12.419  14.959   7.663  1.00 28.83           C
ATOM     14  CG  ASN A  19      11.659  15.505   6.465  1.00 26.44           C
ATOM     15  OD1 ASN A  19      11.356  14.780   5.518  1.00 22.64           O
ATOM     16  ND2 ASN A  19      11.350  16.797   6.504  1.00 28.91           N
ATOM     17  N   TYR A  20      12.397  11.404   6.631  1.00 23.81           N
ATOM     18  CA  TYR A  20      12.992  10.492   5.662  1.00 35.69           C
ATOM     19  C   TYR A  20      11.909   9.888   4.773  1.00 28.94           C
ATOM     20  O   TYR A  20      11.281  10.589   3.980  1.00 25.26           O
ATOM     21  CB  TYR A  20      13.765   9.382   6.379  1.00 33.37           C
ATOM     22  CG  TYR A  20      13.470   9.266   7.861  1.00 31.48           C
ATOM     23  CD1 TYR A  20      12.437   8.463   8.327  1.00 36.91           C
ATOM     24  CD2 TYR A  20      14.228   9.963   8.794  1.00 21.36           C
ATOM     25  CE1 TYR A  20      12.169   8.355   9.678  1.00 36.56           C
ATOM     26  CE2 TYR A  20      13.967   9.862  10.147  1.00 29.56           C
ATOM     27  CZ  TYR A  20      12.936   9.057  10.583  1.00 35.08           C
ATOM     28  OH  TYR A  20      12.671   8.953  11.930  1.00 38.73           O
ATOM     29  N   ARG A  21      11.695   8.584   4.914  1.00 38.95           N
ATOM     30  CA  ARG A  21      10.695   7.881   4.120  1.00 38.77           C
ATOM     31  C   ARG A  21       9.825   6.998   5.010  1.00 27.69           C
ATOM     32  O   ARG A  21       8.635   6.819   4.750  1.00 22.82           O
ATOM     33  CB  ARG A  21      11.373   7.048   3.027  1.00 20.00           C
ATOM     34  CG  ARG A  21      10.419   6.410   2.025  1.00 20.00           C
ATOM     35  CD  ARG A  21      10.098   4.968   2.391  1.00 20.00           C
ATOM     36  NE  ARG A  21       9.189   4.346   1.434  1.00 20.00           N
ATOM     37  CZ  ARG A  21       8.730   3.103   1.542  1.00 20.00           C
ATOM     38  NH1 ARG A  21       9.094   2.347   2.569  1.00 20.00           N
ATOM     39  NH2 ARG A  21       7.906   2.617   0.625  1.00 20.00           N
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   	   C   sk  t  j j d d  d t ƒ }  |  j ƒ  } t | j d d ƒ j ƒ  ƒ } | j	 ƒ  } t
 j j d | d | d | ƒ } d G| j ƒ  GHd	 G| j ƒ  GH| j ƒ  | j ƒ  j d
 d ƒ } | j ƒ  | j d t ƒ } | j d d d d g d d d | j ƒ  ƒ | j ƒ  j d
 d ƒ } | j d d ƒ } | j ƒ  }	 |	 j d d ƒ | j d d ƒ } | j ƒ  | j ƒ  } d  S(   Nt   source_infot   linest   d_ming      ø?t   f_obst   r_free_flagst   xray_structures   r_work:s   r_free:t   map_types   mFobs-DFmodelt   in_placet	   file_names   mfo-dfm.xplort   title_linest   gridding_firsti    t   gridding_lasts   2mFobs-DFmodelt   column_root_labelt   2mFoDFcs   amap.mtzt   resolution_factorg      Ð?(   i    i    i    (   t   iotbxt   pdbt   inputt   Nonet   pdb_strt   xray_structure_simplet   abst   structure_factorst   f_calct   generate_r_free_flagst   mmtbxt   f_modelt   managert   r_workt   r_freet   showt   electron_density_mapt   fft_mapt   apply_sigma_scalingt   real_map_unpaddedt   Falset   as_xplor_mapt   n_realt   map_coefficientst   as_mtz_datasett
   mtz_objectt   writet   apply_volume_scaling(
   t   pdb_inpR   R   R   t   fmodelR!   t   map_datat
   map_coeffst   mtz_datasetR)   (    (    sL   /public2/ftp/pub/ccp4/6.5/ccp4-6.5/lib/py2/mmtbx/examples/f_model_manager.pyt   run0   s6    	

			
t   __main__t   OK(	   t
   __future__R    t	   iotbx.pdbR   t   mmtbx.f_modelR   R   R1   t   __name__(    (    (    sL   /public2/ftp/pub/ccp4/6.5/ccp4-6.5/lib/py2/mmtbx/examples/f_model_manager.pyt   <module>   s   +	&