ó ‚™xTc@ s‹ddlmZddlmZddlmZddlmZddlZddl Z dd„Z e dkr‡e d ej d ƒndS( iÿÿÿÿ(tdivision(tpdb(tSorry(tmultimerNsphenix.pdb.mtrix_reconstructioncC s6t|ƒdkr%tddƒ‚n d|ks=d|krKttƒGHnçt|ƒdkrltdƒ‚nÆtjj|dƒs¬dj|dtjƒƒGHtd ƒ‚n†t d |dd d ƒ}|j dkr t|ƒdkr|j |d ƒd|d GHq2|j ƒd|j GHndj|dƒGHdS(sg (string) -> file Reconstruction of the crystallographic asymmetric unit by applying MTRIX transformation, from the MTRIX records in the pdb file, to all chains in file. Produce a new pdb file containg the rystallographic asymmetric unit information Arguments: args: a string containing the pdb file name, 'file_name.pdb' and an optional output file name if no file name is given, the output file will have the name 'cryst_asym_unit_file_name.pdb' >>> phenix.pdb.mtrix_reconstruction input_file_name.pdb mtrix-assembly reconstructed pdb file was added to your current directory /path/cryst_asym_unit_input_file_name.pdb >>> phenix.pdb.mtrix_reconstruction input_file_name.pdb 'output_file_name.pdb mtrix-assembly reconstructed pdb file was added to your current directory /path/output_file_name.pdb @author: Youval Dar (LBL 2013) is=No input filename is given. Please provide a pdb file name. s7>>> phenix.pdb.mtrix_reconstruction input_file_name.pdbs--helps-his"To many input parameters are givens1There is no file {} in the current directory {}sFile name errort file_nametreconstruction_typetcauis&%s was added to your current directorysNo MTRIX information in {}N( tlenRthelptmtrix_reconstructiontostpathtisfiletformattgetcwdRtnumber_of_transformstwritetpdb_output_file_name(targst command_nametm((sU/public2/ftp/pub/ccp4/6.5/ccp4-6.5/lib/py2/iotbx/command_line/mtrix_reconstruction.pyR s$  t__main__Ri( t __future__RtiotbxRt libtbx.utilsRt!iotbx.pdb.multimer_reconstructionRtsysR R t__name__targv(((sU/public2/ftp/pub/ccp4/6.5/ccp4-6.5/lib/py2/iotbx/command_line/mtrix_reconstruction.pyts /