|
Rosetta 3.3
|
|
Rosetta 3.3
|
Score12 is the most common used score file in Rosetta It includes the standard.wts and score12.wts_patch. We will emphasize the energy terms used in these files here.
fa_atr lennard-jones attractive fa_rep lennard-jones repulsive fa_sol lazaridis-jarplus solvation energy fa_intra_rep lennard-jones repulsive between atoms in the same residue fa_pair statistics based pair term, favors salt bridges fa_plane pi-pi interaction between aromatic groups, by default = 0 fa_dun internal energy of sidechain rotamers as derived from Dunbrack's statistics ref reference energy for each amino acid hbond_lr_bb backbone-backbone hbonds distant in primary sequence hbond_sr_bb backbone-backbone hbonds close in primary sequence hbond_bb_sc sidechain-backbone hydrogen bond energy hbond_sc sidechain-sidechain hydrogen bond energy p_aa_pp Probability of amino acid at phipsi dslf_ss_dst distance score in current disulfide dslf_cs_ang csangles score in current disulfide dslf_ss_dih dihedral score in current disulfide dslf_ca_dih ca dihedral score in current disulfide pro_close proline ring closure energy
rama ramachandran preferences omega omega dihedral in the backbone
1.7.4
