#----- #PYRY3D CONFIG FILE #GENERATED BY PYRY3D UCSF CHIMERA EXTENSION #Joanna M. Kasprzak, Mateusz Dobrychlop, Janusz M. Bujnicki #http://www.genesilico.pl/pyry3d #----- SIMMETHOD SimulatedAnnealing STEPS 10 MAXROT 5 MAXTRANS 5 5 5 OUTBOX 1 1 MAP_FREESPACE 1 1 CLASHES 1 1 RESTRAINTS 1 1 DENSITY 1 1 SYMMETRY 1 1 SIMBOX 1.5 GRIDRADIUS 1.2 GRIDTYPE cubic COMPONENT_REPRESENTATION ca ROTATION_FREQ 0.3 ROTATION_COV_FREQ 0.0 TRANSLATION_FREQ 0.3 EXCHANGE_FREQ 0.0 SIMUL_DD_FREQ 0.0 TRANSLATION_ALL_FREQ 0.2 ROTATION_ALL_FREQ 0.2 STRUCT_NR 1 WRITE_EACHBETTER False EXCHANGESAMPLE_FREQ 0.0 #----- THRESHOLD 1.6 ANN_TEMP 10 REHEAT False 1 WRITE_N_ITER 1 SCALEPARAMS off IDENTIFY_DISORDERS True