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    ž3RcN
  ã            	   @   sò   d dl mZ d dlmZ edkrîd dlZd dlZeejƒdkrhe	dƒ e	dƒ e	dƒ e	d	ƒ e 
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¡ x„ejD ]zZe ¡ Ze de¡\ZZe e¡Zedkr°ej de ¡ qpe e¡Zx.eD ]&Ze e¡Ze	deee e¡f ƒ qÀW qpW dS )é    )ÚChem)Ú
FraggleSimÚ__main__Né   z[Program to run the first part of Fraggle. Program splits the molecule
ready for the search
z#USAGE: ./fraggle.py <file_of_smilesz;Format of smiles file: SMILES ID (space or comma separated)z1Output: whole mol smiles,ID,fraggle split smiles
é   z\s|,zCan't generate mol for: %s
z%s,%s,%s)Zrdkitr   Zrdkit.Chem.Fraggler   Ú__name__ÚsysÚreÚlenÚargvÚprintÚexitÚstdinÚlineÚrstripÚsplitZsmiZid_ZMolFromSmilesZmolÚstderrÚwriteZgenerate_fraggle_fragmentationZout_fragmentsÚxZtempZMolToSmiles© r   r   ú&share/RDKit/Contrib/fraggle/fraggle.pyÚ<module>!   s*   
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