Rosetta 3.2 Release Manual

Energy Terms In Rosetta We will intoduce couple of typical Rosetta weights files in this page to let you have a basic idea about energy terms in Rosetta

Standard Weights File

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.

Energy terms using in standard.wts

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

Energy Terms using in score12.wts_patch

rama                                       ramachandran preferences
omega                                      omega dihedral in the backbone

Generated on Wed Feb 16 16:04:25 2011 for Rosetta Projects by  doxygen 1.5.9

© Copyright Rosetta Commons Member Institutions. For more information, see http://www.rosettacommons.org.