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- bonding_distance_threshold(...) method of builtins.PyCapsule instance
- bonding_distance_threshold(element1 : str, element2 : str) -> float
Get theshold distance below which two atoms are considered bonded. (1.2*covalent)
- check_and_correct_sister_atom_based_on_chirality(...) method of builtins.PyCapsule instance
- check_and_correct_sister_atom_based_on_chirality(rsd : rosetta.core.conformation.Residue, sister1_name : str, sister2_name : str, parent_name : str, outer_ref_name : str) -> NoneType
- check_and_correct_sister_atom_based_on_outgroup(...) method of builtins.PyCapsule instance
- check_and_correct_sister_atom_based_on_outgroup(rsd : rosetta.core.conformation.Residue, sister1_name : str, sister2_name : str, outgroup_name : str) -> NoneType
- check_and_correct_sister_atoms(...) method of builtins.PyCapsule instance
- check_and_correct_sister_atoms(rsd : rosetta.core.conformation.Residue) -> NoneType
///////////////////////////////////////////////////////////////////////////////////////
due to differences in different crystallography/NMR/modeling packages, labeling of sister atoms
(like OP1 <--> OP2, or H41 <--> H42) in PDBs is totally wacky. This is an attempt to regularize...
and it can actually make a difference since sometimes partial charges on sister hydrogens
can be different. Right now only set up for nucleic acids, but could probably generalize.
- convert_atom_name(...) method of builtins.PyCapsule instance
- convert_atom_name(res_name : str, atom_name : str) -> str
- convert_res_name(...) method of builtins.PyCapsule instance
- convert_res_name(name : str) -> str
- create_working_data(...) method of builtins.PyCapsule instance
- create_working_data(options : rosetta.core.io.StructFileRepOptions, sfr : rosetta.core.io.StructFileRep, rinfos : rosetta.utility.vector1_core_io_ResidueInformation) -> NoneType
- flip_atom_xyz(...) method of builtins.PyCapsule instance
- flip_atom_xyz(rsd : rosetta.core.conformation.Residue, sister1_name : str, sister2_name : str) -> NoneType
- get_chirality_sign(...) method of builtins.PyCapsule instance
- get_chirality_sign(xyz_sister1 : rosetta.numeric.xyzVector_double_t, xyz_sister2 : rosetta.numeric.xyzVector_double_t, xyz_parent : rosetta.numeric.xyzVector_double_t, xyz_outer_ref : rosetta.numeric.xyzVector_double_t) -> int
- get_closest_sister(...) method of builtins.PyCapsule instance
- get_closest_sister(xyz_sister1 : rosetta.numeric.xyzVector_double_t, xyz_sister2 : rosetta.numeric.xyzVector_double_t, xyz_outgroup : rosetta.numeric.xyzVector_double_t) -> int
- randomize_missing_coords(...) method of builtins.PyCapsule instance
- randomize_missing_coords(ai : rosetta.core.io.AtomInformation) -> NoneType
randomize missing density
- sgn(...) method of builtins.PyCapsule instance
- sgn(x : float) -> int
- update_atom_information_based_on_occupancy(...) method of builtins.PyCapsule instance
- update_atom_information_based_on_occupancy(options : rosetta.core.io.StructFileRepOptions, ai : rosetta.core.io.AtomInformation) -> bool
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