// THIS FILE IS GENERATED AUTOMATICALLY BY SCONS // DO NOT EDIT! #ifndef PHASER_DEFAULTS #define PHASER_DEFAULTS 1 #define PHASER_CONFIGURE_WITH_MMDB2 #define DEF_JOBS 2 #define DEF_TITL "[no title set]" #define DEF_ROOT "PHASER" #define DEF_MAP_ATMNAME " TR " #define DEF_MAP_RESNAME "MAP" #define DEF_MAP_CHAIN " A" #define DEF_TAB 3 #define DEF_WIDTH 85 #define DEF_EP_BMIN 0.1 #define DEF_EP_BMAX 1000.0 #define DEF_MR_BMAX 50.0 #define DEF_MR_BTOL 1.e-04 #define DEF_MR_OMIN 0.01 #define DEF_CLMN_SPHE 0 #define DEF_CLMN_LMIN 4 #define DEF_CLMN_LMAX 100 #define DEF_CELL_SCALE_MIN 0.91 #define DEF_CELL_SCALE_MAX 1.1 #define DEF_CELL af::double6(1,1,1,1,1,1) //non-zero but impossible #define DEF_OFAC_SCALE_MIN 0.25 #define DEF_OFAC_SCALE_MAX 1.00 #define DEF_LORES 10000 #define DEF_FFTS_MIN 20 #define DEF_FFTS_MAX 80 #define DEF_KILL_FILE "" #define DEF_ELLG_RMSD_MULT 1.8 #define DEF_PACK_CONS_DIST 3.0 #define DEF_WATER_PER_RES 0 #define DEF_WATER_PER_BASE 0 #define DEF_MW_PER_RES 111 #define DEF_MW_PER_BASE 330 #define DEF_RMSD_LIMIT 10 #define DEF_MIN_HELIX_LEN 7 #define DEF_ATOM_CHAN_BFAC true #define DEF_ATOM_CHAN_SCAT false #define DEF_ATOM_SCAT_TYPE "" #define DEF_BFAC_WILS_REST true #define DEF_BFAC_WILS_SIGM 5 #define DEF_BFAC_SPHE_REST true #define DEF_BFAC_SPHE_SIGM 5 #define DEF_BFAC_REFI_REST true #define DEF_BFAC_REFI_SIGM 6 #define DEF_BINS_DATA_MINI 6 #define DEF_BINS_DATA_MAXI 50 #define DEF_BINS_DATA_WIDT 500 #define DEF_BINS_ENSE_MINI 6 #define DEF_BINS_ENSE_MAXI 1000 #define DEF_BINS_ENSE_WIDT 1000 #define DEF_BOXS 4.0 #define DEF_EIGE_WRIT true #define DEF_ELLG_TARG 120 #define DEF_ENSE_DISA_CHEC false #define DEF_ENSE_USE_HETATM false #define DEF_ENSE_ATOM_RMSD 0.0 #define DEF_ENSE_HELI_RMSD 0.2 #define DEF_ENSE_HELI_NAME "PHASER_DEFAULT_HELIX" #define DEF_ENSE_ESTI "OEFFNER" #define DEF_ENSE_NUCL_SS false #define DEF_FIND_PURG_ENAB true #define DEF_FIND_PURG_PERC 75 #define DEF_FIND_PURG_NUMB 0 #define DEF_FIND_PEAK_SELE "PERCENT" #define DEF_FIND_PEAK_CUTO 75 #define DEF_FIND_PEAK_CLUS true #define DEF_FIND_SCAT "SE" #define DEF_FIND_NUMB 1 #define DEF_FIND_CLUS false #define DEF_FIND_TARG "LESSS1" #define DEF_HAND "BOTH" #define DEF_HKLO true #define DEF_LLGC_COMP true #define DEF_LLGC_CLAS 0 #define DEF_LLGC_SIGM 6 #define DEF_LLGC_NCYC 50 #define DEF_LLGC_METH "ATOMTYPE" #define DEF_LLGM false #define DEF_MACA_REF_ANIS true #define DEF_MACA_REF_BINS true #define DEF_MACA_REF_SOLK false #define DEF_MACA_REF_SOLB false #define DEF_MACA_NCYC 50 #define DEF_MACA_MINI "NEWTON" #define DEF_MACJ_NCYC 50 #define DEF_MACJ_MINI "BFGS" #define DEF_MACJ_TARG "NOT_ANOM_ONLY" #define DEF_MACM_REF_ROTA true #define DEF_MACM_REF_TRAN true #define DEF_MACM_REF_BFAC true #define DEF_MACM_REF_VRMS false #define DEF_MACM_REF_CELL false #define DEF_MACM_REF_OFAC false #define DEF_MACM_LAST_ONLY false #define DEF_MACM_NCYC 50 #define DEF_MACM_MINI "BFGS" #define DEF_MACO_NCYC 50 #define DEF_MACO_MINI "BFGS" #define DEF_MACR_REF_ROTA true #define DEF_MACR_REF_TRAN true #define DEF_MACR_NCYC 50 #define DEF_MACR_MINI "BFGS" #define DEF_MACR_SIGR 0.0 #define DEF_MACR_SIGT 0.0 #define DEF_MACS_NCYC 50 #define DEF_MACS_MINI "BFGS" #define DEF_MACS_TARG "NOT_ANOM_ONLY" #define DEF_MACT_NCYC 100 #define DEF_MACT_MINI "BFGS" #define DEF_ENM_OSCI "RTB" #define DEF_ENM_RADI 5 #define DEF_ENM_FORC 1 #define DEF_ENM_MAXB 125 #define DEF_ENM_NRES 0 #define DEF_NMA_MODE 5 #define DEF_NMA_COMB 2 #define DEF_PERT_INCR "RMS" #define DEF_PERT_RMS_STEP 0.2 #define DEF_PERT_RMS_MAXI 0.3 #define DEF_PERT_RMS_STRE 5.0 #define DEF_PERT_RMS_CLAS 2.0 #define DEF_PERT_RMS_DIRE "TOFRO" #define DEF_DDM_SLID 0 #define DEF_DDM_DIST_STEP 50 #define DEF_DDM_DIST_MIN 1 #define DEF_DDM_DIST_MAX 5 #define DEF_DDM_JOIN_MIN 2 #define DEF_DDM_JOIN_MAX 12 #define DEF_DDM_SEQU_MIN 0 #define DEF_DDM_SEQU_MAX 1 #define DEF_DDM_SEPA_MIN 7 #define DEF_DDM_SEPA_MAX 14 #define DEF_DDM_CLUS "MAX" #define DEF_SCED_NDOM 2 #define DEF_SCED_WEIG_EQUA 1 #define DEF_SCED_WEIG_SPHE 4 #define DEF_SCED_WEIG_DENS 1 #define DEF_SCED_WEIG_CONT 0 #define DEF_OCCU_WIND_NRES 0 #define DEF_OCCU_WIND_ELLG 5 #define DEF_OCCU_WIND_MAX 11 #define DEF_OCCU_MIN 0.01 #define DEF_OCCU_MAX 1 #define DEF_OCCU_MERG true #define DEF_OCCU_FRAC 0.50 #define DEF_OCCU_OFFS 0 #define DEF_OUTL_REJE true #define DEF_OUTL_PROB 1e-06 #define DEF_PACK_SELE "PERCENT" #define DEF_PACK_CUTO 5 #define DEF_PACK_QUIC true #define DEF_PACK_COMP true #define DEF_PACK_TRAC_USE true #define DEF_PACK_TRAC_MAX 1000 #define DEF_PACK_DIST 3.0 #define DEF_PACK_KEEP_HIGH false #define DEF_PEAK_SELE_ROT "PERCENT" #define DEF_PEAK_CUTO_ROT 75 #define DEF_PEAK_CLUS_ROT true #define DEF_PEAK_SELE_TRA "PERCENT" #define DEF_PEAK_CUTO_TRA 75 #define DEF_PEAK_CLUS_TRA true #define DEF_PERM false #define DEF_PTGR_COVE 0.90 #define DEF_PTGR_IDEN 0.95 #define DEF_PTGR_RMSD 1.00 #define DEF_PTGR_TOLA 0.035 #define DEF_PTGR_TOLS 0.5 #define DEF_PURG_ROTA_ENAB true #define DEF_PURG_ROTA_PERC 75 #define DEF_PURG_ROTA_NUMB 0 #define DEF_PURG_TRAN_ENAB true #define DEF_PURG_TRAN_PERC 75 #define DEF_PURG_TRAN_NUMB 0 #define DEF_PURG_RNP_ENAB true #define DEF_PURG_RNP_PERC 75 #define DEF_PURG_RNP_NUMB 0 #define DEF_RESH_PERC 100 #define DEF_RFAC_USE true #define DEF_RFAC_CUTO 35 #define DEF_ROTA_VOLU "FULL" #define DEF_ROTA_EULE 0,0,0 #define DEF_ROTA_RANG 10 #define DEF_SCAT_REST true #define DEF_SCAT_SIGM 0.2 #define DEF_SCAT_FIX "EDGE" #define DEF_SEAR_ORDE_AUTO true #define DEF_SEAR_METH "FAST" #define DEF_SEAR_DEEP true #define DEF_SEAR_DOWN_PERC 15 #define DEF_SEAR_BFAC 0 #define DEF_SEAR_OFAC 1 #define DEF_SEAR_PRUN true #define DEF_SGAL_SELE "HAND" #define DEF_SOLP_SIGA_FSOL 1.05 #define DEF_SOLP_SIGA_BSOL 501.605 #define DEF_SOLP_SIGA_MIN 0.1 #define DEF_SOLP_BULK_FSOL 0.35 #define DEF_SOLP_BULK_BSOL 45 #define DEF_SOLP_BULK_USE false #define DEF_TARG_ROTA "FAST" #define DEF_TARG_TRAN "FAST" #define DEF_TNCS_USE true #define DEF_TNCS_NMOL 2 #define DEF_TNCS_PATT_HIRE 5.0 #define DEF_TNCS_PATT_LORE 10.0 #define DEF_TNCS_PATT_PERC 20 #define DEF_TNCS_PATT_DIST 15 #define DEF_TNCS_TRAN_VECT 0,0,0 #define DEF_TNCS_TRAN_PERT true #define DEF_TNCS_ROTA_ANGL -999,-999,-999 #define DEF_TNCS_ROTA_RANG -999 #define DEF_TNCS_ROTA_SAMP -999 #define DEF_TNCS_GFUN_RADI 0 #define DEF_TNCS_RLIS_ADD true #define DEF_TNCS_VARI_RMSD 0.4 #define DEF_TNCS_VARI_FRAC 1.0 #define DEF_TNCS_LINK_REST true #define DEF_TNCS_LINK_SIGM 0.1 #define DEF_TNCS_PAIR_ONLY false #define DEF_TOPF 1 #define DEF_TRAN_VOLU "FULL" #define DEF_TRAN_FRAC true #define DEF_TRAN_STAR 0,0,0 #define DEF_TRAN_END 1,1,1 #define DEF_TRAN_RANG 5 #define DEF_OUTP_LEVE "LOGFILE" #define DEF_CCP4_SUMM_LEVE "SUMMARY" #define DEF_PHEN_LOG_LEVE "SUMMARY" #define DEF_PHEN_CALL_LEVE "PROCESS" #define DEF_XYZO true #define DEF_XYZO_ENSE true #define DEF_ZSCO_SOLV 8 #define DEF_ZSCO_HALF true #define DEF_ZSCO_USE true #define DEF_ZSCO_STOP false #define DEF_ZSCO_POSS_SOLV 6 #endif