AlloViz.AlloViz.info.dihedrals_atoms

AlloViz.AlloViz.info.dihedrals_atoms = {'chi1': {'ca_name': 'CA', 'cb_name': 'CB', 'cg_name': 'CG CG1 OG OG1 SG', 'n_name': 'N'}, 'chi2': {'ca_name': 'CB', 'cb_name': 'CG CG1', 'cg_name': 'CD OD1 ND1 CD1 SD', 'n_name': 'CA'}, 'chi3': {'ca_name': 'CG', 'cb_name': 'CD SD', 'cg_name': 'NE OE1 CE', 'n_name': 'CB'}, 'chi4': {'ca_name': 'CD', 'cb_name': 'CE NE', 'cg_name': 'CZ NZ', 'n_name': 'CG'}, 'chi5': {'ca_name': 'NE', 'cb_name': 'CZ', 'cg_name': 'NH1', 'n_name': 'CD'}, 'omega': {'c_name': 'C', 'ca_name': 'CA', 'n_name': 'N'}, 'phi': {'c_name': 'C', 'ca_name': 'CA', 'n_name': 'N'}, 'psi': {'c_name': 'C', 'ca_name': 'CA', 'n_name': 'N'}}

Dictionary with MDAnalysis’ selection functions-ready dihedral-participating atomnames

Each entry from the dictionary corresponds to a dihedral and is a dictionary itself ready to be passed to MDAnalysis’ selection functions (phi_selection, etc) as kwargs. Chi2 and onward can be selected with the chi1_selection function passing custom atom names.

Info retrieved from https://docs.mdanalysis.org/stable/documentation_pages/core/topologyattrs.html#MDAnalysis.core.topologyattrs.Atomnames.chi1_selection and http://www.mlb.co.jp/linux/science/garlic/doc/commands/dihedrals.html.