# Rosetta DDG rescore flags (beta_nov16 + gen_potential)
# Default flags for ligand_ddg block

-nstruct 1
-use_input_sc
-no_his_his_pairE
-in:file:fullatom

-out::file::pdb_comments
-no_optH false
-flip_HNQ
-renumber_pdb 1

# Score function
-beta_nov16

-no_nstruct_label true
-run:preserve_header true

# Dunbrack rotamer settings
-dunbrack_prob_buried 0.8
-dunbrack_prob_nonburied 0.8
-dunbrack_prob_buried_semi 0.8
-dunbrack_prob_nonburied_semi 0.8

# DAlphaBall is supplied by LigandDDGBlock.dalphaball_bin / DALPHABALL_BIN.

# Suppress noisy protocol reports
-mute protocols.rosetta_scripts.ParsedProtocol.REPORT
