ó
©%�Tc           @   s>   d  „  Z  d „  Z e d ƒ Z d „  Z e e d d „  ƒ d S(   c         C   s4   x- t  ƒ  D]" } | |  k r
 t | d ƒ q
 q
 Wd  S(   Ni    (   t   model_molecule_listt   set_molecule_active(   t   imolt   i(    (    sd   /public2/ftp/pub/ccp4/6.5/ccp4-6.5/lib/python2.7/site-packages/coot/contact_score_isolated_ligand.pyt   deactivate_molecules_except   s    c      
   C   s•  t  |  ƒ t | ƒ } t | ƒ } t | ƒ } d | d t | ƒ } t |  | ƒ } t j j d d t |  ƒ d ƒ } t j j d d t |  ƒ d ƒ } t j j d d | d t | ƒ d	 ƒ }	 t	 | d
 ƒ t
 | d
 ƒ t |  ƒ t |  | | | ƒ }
 t |
 Œ  t d ƒ t | | ƒ t |  | ƒ t t d d d d | d t | ƒ d t | ƒ d | | g g  |	 t ƒ t |	 |  d
 ƒ t |	 ƒ d  S(   Ns   //t   /s   coot-molprobitys   tmp-selected-ligand-for-probe-s   .pdbs   tmp-protein-for-probe-s   probe-t   -s   .dotsi    i   s   -qs   -us   -oncet   CHAINt    s   not s
   -density30(   R   t   res_spec2chain_idt   res_spec2res_not   res_spec2ins_codet   strt   new_molecule_by_atom_selectiont   ost   patht   joint   set_mol_activet   set_mol_displayedt   set_go_to_atom_moleculet   residue_centret   set_rotation_centret   hydrogenate_regiont   write_pdb_filet   popen_commandt   probe_commandt   Falset'   handle_read_draw_probe_dots_unformattedt   probe_clash_score(   R   t   res_spect   chain_idt   res_not   ins_codet   sst   imol_selectiont   ligand_selection_pdbt   protein_selection_pdbt   dots_file_namet   rc(    (    sd   /public2/ftp/pub/ccp4/6.5/ccp4-6.5/lib/python2.7/site-packages/coot/contact_score_isolated_ligand.pyt   contact_score_ligand
   s8    



	t   Ligandc       
   C   s>   t  ƒ  �/ \ }  } } } } } t |  | | | g ƒ Wd  QXd  S(   N(   t   UsingActiveAtomR'   (   t   aa_imolt   aa_chain_idt	   aa_res_not   aa_ins_codet   aa_atom_namet   aa_alt_conf(    (    sd   /public2/ftp/pub/ccp4/6.5/ccp4-6.5/lib/python2.7/site-packages/coot/contact_score_isolated_ligand.pyt   contact_score_ligand_func4   s    	s   Isolated dots for this ligandc         C   s   t  ƒ  S(   N(   R0   (   t   func(    (    sd   /public2/ftp/pub/ccp4/6.5/ccp4-6.5/lib/python2.7/site-packages/coot/contact_score_isolated_ligand.pyt   <lambda>:   s    N(   R   R'   t   coot_menubar_menut   menuR0   t   add_simple_coot_menu_menuitem(    (    (    sd   /public2/ftp/pub/ccp4/6.5/ccp4-6.5/lib/python2.7/site-packages/coot/contact_score_isolated_ligand.pyt   <module>   s
   		(		