#You'll define your own database flag, of course #-database /ifs1/home/smlewis/minirosetta_database #useful for debugging #-options:user #-show_accessed_options #-run:version #input PDB -s complex_readytail_final_nozn.pdb.gz #ex flags give extra rotamers for packing; use_input_sc allows the pre-existing rotamer when packing (useful when paired with sidechain minimization) #-ex1 #-ex2 -use_input_sc #prevent design, keep the input sequence (use a resfile if you want design) -packing:repack_only #-resfile resfile #minimizer type. I don't know which is best -run:min_type dfpmin_armijo_nonmonotone #fragments if you want them; only 3mers are used. #-in:file:frag3 complex_readytail_final_nozn_fragset3mer.gz #frags are too big to include in the demo #local #start of tail -FloppyTail:flexible_start_resnum 180 #end of tail (assumed to be end of chain) #-FloppyTail:flexible_stop_resnum #chain of tail -FloppyTail:flexible_chain C #used for preventing loss of compactness at centroid/fa switch; see documentation -FloppyTail:short_tail:short_tail_off 0 -FloppyTail:short_tail:short_tail_fraction 1.0 #shear does nothing for extended tails; see documentation -FloppyTail:shear_on .33333333333333333333 #turn this one OFF for other uses; activates publication-relevant metrics -FloppyTail:publication true #debugging #-FloppyTail:perturb_show #-FloppyTail:debug #MC temperatures #-FloppyTail:perturb_temp #-FloppyTail:refine_temp #frequency of full repacking; 10 used for test to fit in refine_cycles #-FloppyTail:refine_repack_cycles 100 -FloppyTail:refine_repack_cycles 10 #low-end production numbers #-FloppyTail:perturb_cycles 5000 #-FloppyTail:refine_cycles 3000 #-nstruct 5000 #runs in 26 seconds on my machine -FloppyTail:perturb_cycles 100 -FloppyTail:refine_cycles 20 -nstruct 1