DEF martin 0.0.1 phaser_MR_AUTO 09:40 23/Dec/12 CCP4I2_TOP pipelines/phaser_pipeline/wrappers/phaser_MR/script phaser_MR.def.xml CString DEFAULT,MW,ASU 1 ASU CFloat CFloat CFloat 0 CFloat 0 CString ALL,HAND,LIST,NONE All in pointgroup,Input and enantiomorph,Selected list,Input only 1 HAND CAltSpaceGroupList CPhaserSolDataFile True True False CList 1024 0 CString CBoolean CXmlDataFile CList None None CFloat CList CPdbDataFile True CPhaserSolDataFile True CList CMtzDataFile False CList CMapCoeffsDataFile 1 1 True CList CMapCoeffsDataFile 1 2 True CList CPhsDataFile True 2 CString Base output filename CString Title CBoolean Verbose output CBoolean Print debugging output CBoolean Suppress output CBoolean Write PDB file CBoolean Write PDB files of ensembles to separate files for each solution True CBoolean Write MTZ file CInt Number of parallel threads 1 CBoolean Write keywords (script) file False CFloat Box scale for ensemble F(calc) 4.0 CBoolean Permute search order (MR_AUTO only) False CBoolean Rescore rotation Only applies to automatic MR and fast rotation function CBoolean Rescore translation Only applies to automatic MR and fast translation function CFloat Percentage of resharpening factor to apply 100.0 CBoolean If the R-factor is low for ensemble at origin then abort MR True CFloat If the R-factor is below this cutoff for ensemble at origin then abort MR 35.0 CFloat Rotation sampling angle None CFloat Translation sampling distance None CString Fast rotation target function type fast,brute fast 1 CString Rotation target function LERF1,CORRELATION LERF1 1 CString Translation target function fast,brute fast 1 CString Fast translation target function type LETF1,LETF2 LETF1 1 CInt Number of top PDB files to output 1 CBoolean Pack ensembles into a compact association (minimize distances between centres of mass for the addition of each component in a solution). 1 True