σ
©%Tc           @   s  e  Z e  Z e  Z e  Z d    Z e   rd   Z e d k re	 d  Z
 e e
 d d    e e
 d d    d   Z e e
 d	 d
    e e
 d d    d   Z e e
 d d    e e
 d d    d   Z e e
 d d    d   Z e e
 d d    qn  d S(   c         C   s   d  S(   N(    (   t   f_listt	   sigf_listt
   rfree_list(    (    sV   /public2/ftp/pub/ccp4/6.5/ccp4-6.5/lib/python2.7/site-packages/coot/enhanced_ligand.pyt   ligand_check_refmac_columns   s    
c           C   s   d  S(   N(    (    (    (    sV   /public2/ftp/pub/ccp4/6.5/ccp4-6.5/lib/python2.7/site-packages/coot/enhanced_ligand.pyt!   import_from_3d_generator_from_mdl   s    i   t   Ligands   SMILES -> 2Dc         C   s   t  d d d d    S(   Ns   SMILES stringt    s    Send to 2D Viewer c         S   s
   t  |   S(   N(   t   smiles_to_ligand_builder(   t   text(    (    sV   /public2/ftp/pub/ccp4/6.5/ccp4-6.5/lib/python2.7/site-packages/coot/enhanced_ligand.pyt   <lambda>#   s    (   t   generic_single_entry(   t   func(    (    sV   /public2/ftp/pub/ccp4/6.5/ccp4-6.5/lib/python2.7/site-packages/coot/enhanced_ligand.pyR	       s    s   Residue -> 2Dc         C   s   t  t d d d d d  S(   Nt   aa_imolt   aa_chain_idt	   aa_res_not   aa_ins_codegΈλQΈ?(   t   using_active_atomt   residue_to_ligand_builder(   R   (    (    sV   /public2/ftp/pub/ccp4/6.5/ccp4-6.5/lib/python2.7/site-packages/coot/enhanced_ligand.pyR	   +   s    	c       
   C   sH   t    9 \ }  } } } } } t |  | | | d  t d  Wd  QXd  S(   NgΝΜΜΜΜΜ@i   (   t   UsingActiveAtomt   fle_view_with_rdkitt!   set_flev_idle_ligand_interactions(   R   R   R   R   t   aa_atom_namet   aa_alt_conf(    (    sV   /public2/ftp/pub/ccp4/6.5/ccp4-6.5/lib/python2.7/site-packages/coot/enhanced_ligand.pyt   flev_rdkit_func2   s
    	
s   FLEV this residuec         C   s   t    S(   N(   R   (   R   (    (    sV   /public2/ftp/pub/ccp4/6.5/ccp4-6.5/lib/python2.7/site-packages/coot/enhanced_ligand.pyR	   <   s    s   Toggle Ligand Interactionsc         C   s   t    S(   N(   t   toggle_idle_ligand_interactions(   R   (    (    sV   /public2/ftp/pub/ccp4/6.5/ccp4-6.5/lib/python2.7/site-packages/coot/enhanced_ligand.pyR	   C   s    c         C   s   t  |   t   d  S(   N(   t$   set_display_generic_objects_as_solidt   graphics_draw(   t   state(    (    sV   /public2/ftp/pub/ccp4/6.5/ccp4-6.5/lib/python2.7/site-packages/coot/enhanced_ligand.pyt   go_solid_funcG   s    
s   Solid Generic Objectsc         C   s
   t  d  S(   Ni   (   R   (   R   (    (    sV   /public2/ftp/pub/ccp4/6.5/ccp4-6.5/lib/python2.7/site-packages/coot/enhanced_ligand.pyR	   M   s    s   Unsolid Generic Objectsc         C   s
   t  d  S(   Ni    (   R   (   R   (    (    sV   /public2/ftp/pub/ccp4/6.5/ccp4-6.5/lib/python2.7/site-packages/coot/enhanced_ligand.pyR	   Q   s    c       
   C   sE   t  d  t   , \ }  } } } } } t |  | | |  Wd  QXd  S(   Ni   (   R   R   t
   show_feats(   R   R   R   R   R   R   (    (    sV   /public2/ftp/pub/ccp4/6.5/ccp4-6.5/lib/python2.7/site-packages/coot/enhanced_ligand.pyt   show_chem_funcT   s    
	s   Show Chemical Featuresc         C   s   t    S(   N(   R   (   R   (    (    sV   /public2/ftp/pub/ccp4/6.5/ccp4-6.5/lib/python2.7/site-packages/coot/enhanced_ligand.pyR	   ]   s    c       
   C   s]   t    N \ }  } } } } } t |  | | |  } | d } t |  | | | |  Wd  QXd  S(   Ns   .sdf(   R   t   residue_namet   residue_to_sdf_file(   R   R   R   R   R   R   t   rnt	   file_name(    (    sV   /public2/ftp/pub/ccp4/6.5/ccp4-6.5/lib/python2.7/site-packages/coot/enhanced_ligand.pyt   write_sdf_funca   s    	
s   write sdf filec         C   s   t    S(   N(   R#   (   R   (    (    sV   /public2/ftp/pub/ccp4/6.5/ccp4-6.5/lib/python2.7/site-packages/coot/enhanced_ligand.pyR	   l   s    N(   t   Falset   ligand_check_refmac_mtzt   ligand_check_refmac_fobs_colt   ligand_check_refmac_sigfobs_colt   ligand_check_refmac_r_free_colR   t   enhanced_ligand_coot_pR   t
   use_gui_qmt   coot_menubar_menut   menut   add_simple_coot_menu_menuitemR   R   R   R#   (    (    (    sV   /public2/ftp/pub/ccp4/6.5/ccp4-6.5/lib/python2.7/site-packages/coot/enhanced_ligand.pyt   <module>   sT   			

	

	

	
	