# # Copyright (C) 1999-2004 Liz Potterton, Peter Briggs # # This code is distributed under the terms and conditions of the # CCP4 Program Suite Licence Agreement as a CCP4 Library. # A copy of the CCP4 licence can be obtained by writing to the # CCP4 Secretary, Daresbury Laboratory, Warrington WA4 4AD, UK. # #CCP4i_cvs_Id $Id$ #CCP4I VERSION CCP4Interface 0.4 #CCP4I SCRIPT DEF scala_sym #CCP4I DATE 25/10/97 16:05:30 #CCP4I USER lizp @ [FileJoin [GetEnvPath CCP4I_TOP] tasks pointless.def] CUSTOM_POINTLESS _logical 0 CUSTOM_SCALA _logical 0 CUSTOM_OUTPUT _logical 0 MULTI_RUNS _logical 0 HTML_LOG _logical 1 REFINE _logical 1 SD_CORRECT _logical 1 RUN_POINTLESS _logical 1 INPUT_FILES _list_of_text "" OUTPUT_FILES _list_of_text "" HKLIN _MTZ_file "" DIR_HKLIN _default_dirs "" HKLOUT _MTZ_file "" DIR_HKLOUT _default_dirs "" N_SCALA_HKLOUT _positiveint 0 SCALA_HKLOUT,0 _MTZ_file "" DIR_SCALA_HKLOUT,0 _default_dirs "" SCALOUT _sca_file "" DIR_SCALOUT _default_dirs "" N_SCALA_SCALOUT _positiveint 0 SCALA_SCALOUT,0 _MTZ_file "" DIR_SCALA_SCALOUT,0 _default_dirs "" LABOUT_LABEL _text "" ANOMALOUS _logical 0 INSCALE _logical 1 RESTORE_FILE _scala_file "" DIR_RESTORE_FILE _default_dirs TEMPORARY INITIAL_ANALYSE _logical 0 HKLIN_SCALE _logical 0 HKLIN_FRACTIONCALC _logical 0 HKLIN_IPR _logical 0 HKLIN_XDET _logical 0 HKLIN_ROT _logical 0 TITLE _title_text "" EXCLUDE_RESOLUTION _logical 0 EXCLUDE_RESOLUTION_MIN _positivereal "" EXCLUDE_RESOLUTION_MAX _positivereal "" EXCLUDE_BYSIGMA _logical 0 EXCLUDE_BYSIGMA_1 _positivereal "" EXCLUDE_BYSIGMA_2 _positivereal "" EXCLUDE_MAXIMUM _logical 0 EXCLUDE_MAXIMUM_1 _positivereal "" EXCLUDE_EMAX _scala_exclude_emax EMAX EXCLUDE_EMAX_EMAX _positivereal 10.0 EXCLUDE_EMAX_EPROB _text 1e-8 N_EXCLUDE_RECT _positiveint 0 EXCLUDE_RECT _logical 0 EXCLUDE_XMIN,0 _real "" EXCLUDE_XMAX,0 _real "" EXCLUDE_YMIN,0 _real "" EXCLUDE_YMAX,0 _real "" EXCLUDE_BATCH _logical 0 N_EXCLUDE_BATCH _positiveint 1 EXCLUDE_BATCH_DEFINE,0 _scala_batch_define LIST EXCLUDE_BATCH_LIST,0 _list_of_int "" EXCLUDE_BATCH_FIRST,0 _int "" EXCLUDE_BATCH_LAST,0 _int "" EXCLUDE_BATCH_DEFINE,1 _scala_batch_define LIST EXCLUDE_BATCH_LIST,1 _list_of_int "" EXCLUDE_BATCH_FIRST,1 _int "" EXCLUDE_BATCH_LAST,1 _int "" EXCLUDE_DATASET _logical 0 N_EXCLUDE_DATASETS _positiveint 1 EXCLUDE_DATASET_NAME,0 _scala_datasets_in "" EXCLUDE_DATASET_NAME,1 _scala_datasets_in "" IS_MODE _scala_is_mode PROFILE SCALE_ANOMALOUS _logical 0 IS_PARTIALS _scala_partials PARTIALS IS_PARTIALS_MINFRAC _positivereal "" IS_CHECK _logical 1 IS_TEST _logical 1 IS_TEST_MIN _positivereal 0.95 IS_TEST_MAX _positivereal 1.05 IS_CORRECT _logical 0 IS_CORRECT_LIMIT _positivereal "" IS_GAP _logical 0 IS_MAXWIDTH _positiveint "" ANOMALOUS_ON _logical 0 IF_ANOMALOUS_MATCH _logical 0 ANOMALOUS_MATCH _scala_anomalous_match INVERT ANOMALOUS_MATCH_SYM _text "" ANOMALOUS_PHIDIF _positivereal "" NRUNS _positiveint 1 RUN_DEFS,0 _positiveint 1 RUN_XCLUDE,0 _scala_run_xclude Include RUN_MODE,0 _scala_run_mode BATCHRANGE RUN_IMIN,0 _positiveint "" RUN_IMAX,0 _positiveint "" RUN_RMIN,0 _positivereal "" RUN_RMAX,0 _positivereal "" RUN_YMIN,0 _positivereal "" RUN_YMAX,0 _positivereal "" RUN_LIST,0 _list_of_int "" RUN_DATASET,0 _scala_datasets_in "" REFERENCE _logical 0 REFERENCE_RUN _scala_run "run 1" RUN_MENU_0 _menu "" RUN_MENU_0_ALIAS _menu "" RUN_MENU _menu "" RUN_MENU_ALIAS _menu "" RUN_DATASET_OUT,0 _scala_datasets_out "" RUN_XNAME_OUT,0 _mtz_crystalname "" RUN_XNAME_OUT,1 _mtz_crystalname "" RUN_DNAME_OUT,0 _mtz_datasetname "" RUN_DNAME_OUT,1 _mtz_datasetname "" NSCALES _positiveint 1 SCALES_RUN,0 _scala_scales_run "all runs" SCALES_MODE,0 _scala_scales_mode SECONDARY SCALES_BFACTOR,0 _scala_bfactor "no" SCALES_BROTATION,0 _scala_brotation NO_TIME SCALES_BFACTOR_TIME,0 _positiveint "" SCALES_ROTATION,0 _scala_rotation SPACING SCALES_ROTATION_ROT,0 _positiveint "5" SCALES_DETECTOR,0 _scala_detector "number of bins" SCALES_DETECTOR_NX,0 _positiveint "" SCALES_DETECTOR_NY,0 _positiveint "" SCALES_TAILS,0 _logical 0 TAILS_V,0 _positivereal 0.01 TAILS_A0,0 _fraction 0.0 TAILS_A1,0 _real 10.0 SECONDARY_LMAX,0 _positiveint 4 SURFACE_LMAX,0 _positiveint 4 SURFACE_POLE,0 _text "" SCALES_RUN,1 _scala_scales_run "all runs" SCALES_MODE,1 _scala_scales_mode SECONDARY SCALES_BFACTOR,1 _scala_bfactor ON SCALES_BROTATION,1 _scala_brotation "BROTATION SPACING" SCALES_BFACTOR_TIME,1 _positiveint 20 SCALES_ROTATION,1 _scala_rotation SPACING SCALES_ROTATION_ROT,1 _positiveint "5" SCALES_DETECTOR,1 _scala_detector "number of bins" SCALES_DETECTOR_NX,1 _positiveint "" SCALES_DETECTOR_NY,1 _positiveint "" SCALES_TAILS,1 _logical 0 TAILS_V,1 _positivereal 0.01 TAILS_A0,1 _fraction 0.0 TAILS_A1,1 _real 10.0 SECONDARY_LMAX,1 _positiveint 4 SURFACE_LMAX,1 _positiveint 4 SURFACE_POLE,1 _text "" TAILS_FIX_V _logical 0 TAILS_FIX_A0 _logical 1 TAILS_FIX_A1 _logical 0 N_TAIL_LINK _positiveint 0 TAIL_LINK,0 _scala_tail_link "Link tails" TAIL_RUN1,0 _scala_scales_run "all runs" TAIL_RUN2,0 _scala_scales_run "all runs" N_SURFACE_LINK _positiveint 0 SURFACE_LINK,0 _scala_surface_link "Link surface" SURFACE_RUN1,0 _scala_scales_run "all runs" SURFACE_RUN2,0 _scala_scales_run "all runs" USE_CORNERCORRECT _logical 0 CORNERCORRECT_FILE _image_file "" DIR_CORNERCORRECT_FILE _default_dirs "" INITIAL_MODE _scala_initial MEAN INITIAL_VALUE,0 _positivereal "1.0" TIE_ROTATION _logical 0 TIE_ROTATION_SD _positivereal "" TIE_DETECTOR _logical 0 TIE_DETECTOR_SD _positivereal "" TIE_SURFACE _logical 0 TIE_SURFACE_SD _positivereal 0.001 TIE_BFACTOR _logical 1 TIE_BFACTOR_SD _positivereal "0.3" TIE_A1 _logical 0 TIE_A1_SD _positivereal "" SMOOTHING _logical 0 SMOOTHING_TIME _positivereal 0.5 SMOOTHING_DETECTOR _positivereal 1.0 SMOOTHING_ROTATION _positivereal 1.0 PROB_LIMIT _logical 0 PROB_LIMIT_TIME _positivereal "" PROB_LIMIT_DETECTOR _positivereal "" PROB_LIMIT_ROTATION _positivereal "" CYCLES _positiveint 10 CONVERGE _positivereal 0.3 REJECT _positiveint 2 SKIP _logical 0 SKIP_NREFLECTIONS _positiveint "" SKIP_NCYCLES _positiveint 3 CYCLE_UNIT_WEIGHT _logical 0 FILTER_DAMP _real "" REJECT_CRITERIA _logical 0 REJECT_SDMAX _positivereal 6.0 REJECT_SDMAX2 _positivereal 6.0 REJECT_BYRUN _logical 0 MERGE_REJECT_SDMAX _positivereal 6.0 MERGE_REJECT_SDMAX2 _positivereal 6.0 MERGE_REJECT_BYRUN _logical 0 MERGE_REJECT_ALL _positivereal 8.0 OUTPUT _scala_output AVERAGE OUTPUT_REDUCED _logical 1 OUTPUT_REFERENCE _logical 0 OUTPUT_OUTLIERS _logical 0 OUTPUT_PARTIALS,0 _logical 0 FINAL_PARTIALS _scala_partials PARTIALS FINAL_PARTIALS_MINFRAC _positivereal "" FINAL_DIF_IS _logical 0 FINAL_CHECK _logical 1 FINAL_TEST _logical 1 FINAL_TEST_MIN _positivereal 0.95 FINAL_TEST_MAX _positivereal 1.2 FINAL_CORRECT _logical 0 FINAL_CORRECT_LIMIT _positivereal "" FINAL_GAP _logical 0 FINAL_MAXWIDTH _positiveint "" PRINT _scala_print "brief" OVERLAP _scala_overlap "nooverlap" NSDS _positiveint 0 SD_RUNS,0 _scala_scales_run "all runs" SD_ADJUST,0 _logical 0 SD_REFINE,0 _logical 1 SD_APPLY,0 _scala_sd_apply "all" SD_FAC,0 _real "" SD_B,0 _real "" SD_ADD,0 _real "" SHOW_TRUNCATE _logical 1 RUN_TRUNCATE _logical 1 APPLY_TRUNCATE _text WILSON CONTENTS_MODE _text NRES CONTENTS_NRES _positiveint "" FALLOFF _logical 1 EXCLUDE_INTENSITIES _logical 1 RUN_CAD _logical 1 COLUMN_ID_TYPE _scala_truncate_id DATASET TRUNCATE_PROG _scala_truncate_prog CTRUNCATE OUTPUT_I _logical 1 RUN_PATTERSON _logical 0 UNMERGED_TOGETHER _logical 0 N_FILE_DATASETS _positiveint 0 N_INPUT_DATASETS _positiveint 0 INPUT_DATASET_DEF,0 _mtz_datasetname "" INPUT_DATASET_LABEL,0 _text "" INPUT_CRYSTAL_DEF,0 _mtz_crystalname "" INPUT_CRYSTAL_LABEL,0 _text "" DATASETS_IN_MENU _menu "" N_OUTPUT_DATASETS _positiveint 1 OUTPUT_DATASET_DEF,0 _mtz_datasetname "" OUTPUT_DATASET_LABEL,0 _text "" OUTPUT_DATASET_DEF,1 _mtz_datasetname "" OUTPUT_DATASET_LABEL,1 _text "" OUTPUT_CRYSTAL_DEF,0 _mtz_crystalname "" OUTPUT_CRYSTAL_LABEL,0 _text "" OUTPUT_CRYSTAL_DEF,1 _mtz_crystalname "" OUTPUT_CRYSTAL_LABEL,1 _text "" DATASETS_OUT_MENU _menu "" DATASET_DISPLAY_MODE _text "" DATASETS_OUT _list "" PROJECTS_OUT _list "" LABELS_OUT _list "" COMBINE_DATASETS _logical 0 ACCEPT_OVERLOADS _logical 0 ACCEPT_PKRATIO _logical 0 PKRATIO _positivereal 3.5 @ [FileJoin [GetEnvPath CCP4I_TOP] tasks uniqueify.def] @ [FileJoin [GetEnvPath CCP4I_TOP] tasks harvest.def] # Over-ride the value set in uniqueify.def UNIQUEIFY _logical 0