Rosetta酶设计参数详解与代码解读

这篇文章将解析一段用于Rosetta酶设计的命令行代码，并详细解释每个参数的含义和作用。

代码:

-s inputs/1q91_CHGW_d1_mod.pdb-extra_res_fa inputs/D2N_aX.params-enzdes -detect_design_interface -cut1 6.0 -cut2 8.0 -cut3 10.0 -cut4 12.0 -cst_opt -cst_design -cst_min -cstfile inputs/Est_CHba_d2n.cst -bb_min -chi_min -lig_packer_weight 1.8 -final_repack_without_ligand -additional_packing_ligand_rb_confs 4 #-ex_catalytic_rot 5 #-design_min_cycles 2 -include_catres_in_interface_detection-packing:soft_rep_design-out:file:o enz_score.out-nblist_autoupdate-unboundrot inputs/1q91_CHGW_d1_mod.pdb-mute core.io.database core.scoring.NeighborList-restore_talaris_behavi