ó šxTc@ sddlmZddlZddlmZddlmZ ddl m Z ddl Zddl Z ddlZddlZdaaed„Zd„Zdeje jfd „ƒYZd efd „ƒYZed „Zd „Zdd„Zd„Zdefd„ƒYZdS(iÿÿÿÿ(tdivisionN(tobject_oriented_patterns(t interface(tSorrycC sÎtdkrÊtjjtƒatatj j dƒ}t j j |ƒrÊtjjd|ƒ}tjd|dtƒ\a}|r¾t|ƒdkr¾x(|D]}tjjd|j ƒqšWntaqÊntS(Nsinclude/phaser_defaults.paramst file_nametsourcettrack_unused_definitionsis WARNING: unknown parameter %s (t master_phil_tNonetiotbxtphilt read_defaultt__file__t master_philtmaster_params_tlibtbxtenvt under_buildtostpathtisfiletparsetfetchtTruetlentsyststderrtwrite(tvalidatet defaults_filet defaults_philtunusedtparam((sN/public2/ftp/pub/ccp4/6.5/ccp4-6.5/lib/py2/phaser/phenix_interface/__init__.pyR s   cC stƒS(N(R (((sN/public2/ftp/pub/ccp4/6.5/ccp4-6.5/lib/py2/phaser/phenix_interface/__init__.pyt master_params"st _index_phasercB s#eZd„Zd„Zd„ZRS(cC s–t|dƒsi|_n||jkrk|j|ƒ}t|tƒrU|d}nt|ƒ|j|| d ƒ‚qh|j7dkrhtd?d.| d ƒ‚qhqhWnt||jd@ƒƒrÐ | rìn3|jj8dk rt4} n|jj9j:dk rMt|jj9j;ƒd kr tdAdBƒ‚q nÒt|jj9j;ƒd kr x´t%|jj9j;ƒD]š\} }dCdDdEdFg}g|D]}t<||ƒ^q£}|j-dƒd6kròtdGdHdI| d ƒ‚n|j=dkr~tdJ| d ƒ‚q~q~Wnx®t%|jj9j>ƒD]”\} }|j?dks_ |j=dkrz tdKdL| d ƒ‚ndMdNl@mA}y|jB|j?ƒ}Wq5 tCk rÈ }tdO|j?ƒ‚q5 Xq5 Wnt||jdPƒƒr@ |jj jDjEdQkr@ t|jj jDjFƒd kr@ tdRdSdTdUdVƒ‚q@ n|d[krt |jjGdkrt tdYdZƒ‚qt n|jHjIrƒ nt4S(\NRs[^a-zA-Z0-9_\-]{1,}s+Please define a root filename for this run.s8The root filename must be alphanumeric (underscores OK).s phaser.hklins/You must specify a reflections file in mode %s.s3You must specify reflection data labels in mode %s.sphaser.crystalis"Crystal data required for mode %s.is(Only one crystal supported at this time.s+Only one wavelength supported at this time.s5For each crystal, you may supply heavy-atom sites as s-EITHER a PDB file OR 'ha' file, but not both.RGis4Both the energy and the wavelength for this dataset s;have been provided - please enter only one of these values.gà?s5The specified data collection wavelength (%g) is not s suitable for s;SAD phasing; please make sure you have entered the correct s2value in Angstroms, or provide the energy instead.ièi Ns1The specified energy is not a suitable value for s9value in eV (not KeV), or provide the wavelength instead.s4Please specify either the wavelength (in Angstroms) s'or the energy (in eV) for this dataset.sphaser.ensembles5You must specify either the RMSD or the identity for sthe single-model input.s2Either the model RMSDs or the sequence identities smust be defined, but not both.s(You must specify an RMSD for each model.s4You must specify a sequence identity for each model.tense_1s2You may not specify the single-model input search s9parameter (phaser.model) when the ensemble scope is used.s"Missing model ID for ensemble #%d.sDuplicate model ID '%s'.s/Please specify either PDB files or an MTZ file sfor ensemble %s, but not both.s0Missing PDB file for ensemble %s coordinate set s%d.s,Please specify EITHER an RMSD OR fractional sidentity for PDB file %s.s1Reading of model variances from PDB REMARK lines s;is only allowed when a single multi-model PDB file is used s<as input. 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