Rosetta
|
Public Member Functions | |
def | __init__ (self, method, wt_struct) |
def | set_wt_RNA_secstruct (self, secstruct) |
def | set_run_locally (self, value) |
def | get_mut_positions (self, seq) |
def | add_mutant (self, seq) |
def | set_cmd_opts (self, cmd_opts) |
def | set_sfxn (self, sfxn) |
def | set_protein_pack_reps (self, protein_pack_reps) |
def | set_rosetta_prefix (self, prefix) |
def | write_mutfile (self, mut_indices, mutant_seq, input_file, mfil_name) |
def | figure_out_protein_pack_reps (self, index) |
def | get_low_res_command_lines (self, index) |
def | get_med_res_command_lines (self, index) |
def | get_high_res_command_lines (self, index) |
def | make_high_res_subsets_and_cmd_lines (self, index, mut_subsets, mutant_seq_full, native_pdb, mut_depends) |
def | get_command_lines (self, index) |
def | __init__ (self, method, wt_struct) |
def | set_wt_RNA_secstruct (self, secstruct) |
def | set_run_locally (self, value) |
def | get_mut_positions (self, seq) |
def | add_mutant (self, seq) |
def | set_cmd_opts (self, cmd_opts) |
def | set_sfxn (self, sfxn) |
def | set_protein_pack_reps (self, protein_pack_reps) |
def | set_rosetta_prefix (self, prefix) |
def | write_mutfile (self, mut_indices, mutant_seq, input_file, mfil_name) |
def | figure_out_protein_pack_reps (self, index) |
def | get_low_res_command_lines (self, index) |
def | get_med_res_command_lines (self, index) |
def | get_high_res_command_lines (self, index) |
def | make_high_res_subsets_and_cmd_lines (self, index, mut_subsets, mutant_seq_full, native_pdb, mut_depends) |
def | get_command_lines (self, index) |
Class in charge of making mutants of a given WT structure Generates commands that will make mutant structures starting from a 'WT' structure Uses either the low-res, med-res, or high-res protocols
def mutant_modeler.MutantModeler.__init__ | ( | self, | |
method, | |||
wt_struct | |||
) |
def mutant_modeler.MutantModeler.__init__ | ( | self, | |
method, | |||
wt_struct | |||
) |
References mutant_modeler.MutantModeler.__init__(), mutant_modeler.MutantModeler.cmd_opts, mutant_modeler.MutantModeler.compare_to_full_WT, mutant_modeler.figure_out_WT_seq(), mutant_modeler.find_pairs(), mutant_modeler.MutantModeler.high_res_WT_rebuild, ObjexxFCL.len(), mutant_modeler.MutantModeler.map_RNA_index_to_full, mutant_modeler.MutantModeler.med_res_WT_rebuild, mutant_modeler.MutantModeler.method, mutant_modeler.MutantModeler.mutant_index, mutant_modeler.MutantModeler.mutant_seqs, mutant_modeler.MutantModeler.mutant_subsets, mutant_modeler.MutantModeler.protein_pack_reps, range, mutant_modeler.MutantModeler.rosetta_prefix, mutant_modeler.MutantModeler.run_local, InterfaceDDGMover.sfxn(), ScoreFunctionFingerprintMover.sfxn(), mutant_modeler.MutantModeler.sfxn, mutant_modeler.MutantModeler.wt_base_pairs, mutant_modeler.MutantModeler.wt_pdb_tag, mutant_modeler.MutantModeler.wt_RNA_secstruct, and mutant_modeler.MutantModeler.wt_struct.
Referenced by pyrosetta.distributed.tasks.taskbase.TaskBase.__setstate__().
def mutant_modeler.MutantModeler.add_mutant | ( | self, | |
seq | |||
) |
def mutant_modeler.MutantModeler.add_mutant | ( | self, | |
seq | |||
) |
def mutant_modeler.MutantModeler.figure_out_protein_pack_reps | ( | self, | |
index | |||
) |
References mutant_modeler.MutantModeler.compare_to_full_WT, ObjexxFCL.len(), mutant_modeler.MutantModeler.mutant_seqs, and mutant_modeler.MutantModeler.protein_pack_reps.
Referenced by mutant_modeler.MutantModeler.figure_out_protein_pack_reps(), mutant_modeler.MutantModeler.get_low_res_command_lines(), mutant_modeler.MutantModeler.get_med_res_command_lines(), and mutant_modeler.MutantModeler.make_high_res_subsets_and_cmd_lines().
def mutant_modeler.MutantModeler.figure_out_protein_pack_reps | ( | self, | |
index | |||
) |
References mutant_modeler.MutantModeler.compare_to_full_WT, mutant_modeler.MutantModeler.figure_out_protein_pack_reps(), ObjexxFCL.len(), mutant_modeler.MutantModeler.mutant_seqs, and mutant_modeler.MutantModeler.protein_pack_reps.
Referenced by mutant_modeler.MutantModeler.get_low_res_command_lines(), mutant_modeler.MutantModeler.get_med_res_command_lines(), and mutant_modeler.MutantModeler.make_high_res_subsets_and_cmd_lines().
def mutant_modeler.MutantModeler.get_command_lines | ( | self, | |
index | |||
) |
def mutant_modeler.MutantModeler.get_command_lines | ( | self, | |
index | |||
) |
def mutant_modeler.MutantModeler.get_high_res_command_lines | ( | self, | |
index | |||
) |
References numeric.add(), mutant_modeler.MutantModeler.cmd_opts, mutant_modeler.MutantModeler.compare_to_full_WT, mutant_modeler.MutantModeler.get_low_res_command_lines(), mutant_modeler.MutantModeler.high_res_WT_rebuild, enumerate_junctions.int, join(), ObjexxFCL.len(), mutant_modeler.MutantModeler.make_high_res_subsets_and_cmd_lines(), mutant_modeler.MutantModeler.map_RNA_index_to_full, mutant_modeler.MutantModeler.mutant_seqs, mutant_modeler.MutantModeler.mutant_subsets, basic::database.open(), range, mutant_modeler.MutantModeler.rosetta_prefix, set(), str(), test.T040_Types.values, mutant_modeler.MutantModeler.write_mutfile(), mutant_modeler.MutantModeler.wt_RNA_secstruct, and mutant_modeler.MutantModeler.wt_struct.
Referenced by mutant_modeler.MutantModeler.get_command_lines(), and mutant_modeler.MutantModeler.get_high_res_command_lines().
def mutant_modeler.MutantModeler.get_high_res_command_lines | ( | self, | |
index | |||
) |
References numeric.add(), mutant_modeler.MutantModeler.cmd_opts, mutant_modeler.MutantModeler.compare_to_full_WT, mutant_modeler.MutantModeler.get_high_res_command_lines(), mutant_modeler.MutantModeler.get_low_res_command_lines(), util.get_surrounding_res(), mutant_modeler.MutantModeler.high_res_WT_rebuild, enumerate_junctions.int, join(), ObjexxFCL.len(), mutant_modeler.MutantModeler.make_high_res_subsets_and_cmd_lines(), mutant_modeler.MutantModeler.map_RNA_index_to_full, mutant_modeler.MutantModeler.mutant_seqs, mutant_modeler.MutantModeler.mutant_subsets, basic::database.open(), print(), range, mutant_modeler.MutantModeler.rosetta_prefix, set(), str(), test.T040_Types.values, mutant_modeler.MutantModeler.write_mutfile(), mutant_modeler.MutantModeler.wt_RNA_secstruct, and mutant_modeler.MutantModeler.wt_struct.
Referenced by mutant_modeler.MutantModeler.get_command_lines().
def mutant_modeler.MutantModeler.get_low_res_command_lines | ( | self, | |
index | |||
) |
References mutant_modeler.MutantModeler.cmd_opts, mutant_modeler.MutantModeler.figure_out_protein_pack_reps(), mutant_modeler.MutantModeler.mutant_seqs, mutant_modeler.MutantModeler.rosetta_prefix, mutant_modeler.MutantModeler.write_mutfile(), and mutant_modeler.MutantModeler.wt_struct.
Referenced by mutant_modeler.MutantModeler.get_command_lines(), mutant_modeler.MutantModeler.get_high_res_command_lines(), mutant_modeler.MutantModeler.get_low_res_command_lines(), and mutant_modeler.MutantModeler.get_med_res_command_lines().
def mutant_modeler.MutantModeler.get_low_res_command_lines | ( | self, | |
index | |||
) |
References mutant_modeler.MutantModeler.cmd_opts, mutant_modeler.MutantModeler.figure_out_protein_pack_reps(), mutant_modeler.MutantModeler.get_low_res_command_lines(), mutant_modeler.MutantModeler.mutant_seqs, mutant_modeler.MutantModeler.rosetta_prefix, mutant_modeler.MutantModeler.write_mutfile(), and mutant_modeler.MutantModeler.wt_struct.
Referenced by mutant_modeler.MutantModeler.get_command_lines(), mutant_modeler.MutantModeler.get_high_res_command_lines(), and mutant_modeler.MutantModeler.get_med_res_command_lines().
def mutant_modeler.MutantModeler.get_med_res_command_lines | ( | self, | |
index | |||
) |
References mutant_modeler.MutantModeler.cmd_opts, mutant_modeler.MutantModeler.compare_to_full_WT, mutant_modeler.MutantModeler.figure_out_protein_pack_reps(), mutant_modeler.MutantModeler.get_low_res_command_lines(), join(), ObjexxFCL.len(), basic::options::OptionKeys::in::file.list, mutant_modeler.list_NC_BPs(), mutant_modeler.MutantModeler.map_RNA_index_to_full, mutant_modeler.MutantModeler.med_res_WT_rebuild, mutant_modeler.MutantModeler.mutant_seqs, basic::database.open(), range, mutant_modeler.MutantModeler.rosetta_prefix, mutant_modeler.MutantModeler.run_local, set(), InterfaceDDGMover.sfxn(), ScoreFunctionFingerprintMover.sfxn(), mutant_modeler.MutantModeler.sfxn, str(), test.T040_Types.values, mutant_modeler.MutantModeler.write_mutfile(), mutant_modeler.MutantModeler.wt_base_pairs, mutant_modeler.MutantModeler.wt_RNA_secstruct, and mutant_modeler.MutantModeler.wt_struct.
Referenced by mutant_modeler.MutantModeler.get_command_lines(), and mutant_modeler.MutantModeler.get_med_res_command_lines().
def mutant_modeler.MutantModeler.get_med_res_command_lines | ( | self, | |
index | |||
) |
References mutant_modeler.MutantModeler.cmd_opts, mutant_modeler.MutantModeler.compare_to_full_WT, mutant_modeler.MutantModeler.figure_out_protein_pack_reps(), mutant_modeler.MutantModeler.get_low_res_command_lines(), mutant_modeler.MutantModeler.get_med_res_command_lines(), join(), ObjexxFCL.len(), basic::options::OptionKeys::in::file.list, mutant_modeler.list_NC_BPs(), mutant_modeler.MutantModeler.map_RNA_index_to_full, mutant_modeler.MutantModeler.med_res_WT_rebuild, mutant_modeler.MutantModeler.mutant_seqs, basic::database.open(), range, mutant_modeler.MutantModeler.rosetta_prefix, mutant_modeler.MutantModeler.run_local, set(), InterfaceDDGMover.sfxn(), ScoreFunctionFingerprintMover.sfxn(), mutant_modeler.MutantModeler.sfxn, str(), test.T040_Types.values, mutant_modeler.MutantModeler.write_mutfile(), mutant_modeler.MutantModeler.wt_base_pairs, mutant_modeler.MutantModeler.wt_RNA_secstruct, and mutant_modeler.MutantModeler.wt_struct.
Referenced by mutant_modeler.MutantModeler.get_command_lines().
def mutant_modeler.MutantModeler.get_mut_positions | ( | self, | |
seq | |||
) |
References mutant_modeler.MutantModeler.compare_to_full_WT, ObjexxFCL.len(), and range.
Referenced by mutant_modeler.MutantModeler.add_mutant(), and mutant_modeler.MutantModeler.get_mut_positions().
def mutant_modeler.MutantModeler.get_mut_positions | ( | self, | |
seq | |||
) |
def mutant_modeler.MutantModeler.make_high_res_subsets_and_cmd_lines | ( | self, | |
index, | |||
mut_subsets, | |||
mutant_seq_full, | |||
native_pdb, | |||
mut_depends | |||
) |
References mutant_modeler.MutantModeler.cmd_opts, mutant_modeler.MutantModeler.figure_out_protein_pack_reps(), join(), ObjexxFCL.len(), DRRAFTER_util.make_tag_with_dashes(), basic::database.open(), range, mutant_modeler.MutantModeler.rosetta_prefix, mutant_modeler.MutantModeler.run_local, InterfaceDDGMover.sfxn(), ScoreFunctionFingerprintMover.sfxn(), mutant_modeler.MutantModeler.sfxn, str(), mutant_modeler.MutantModeler.wt_pdb_tag, and mutant_modeler.MutantModeler.wt_struct.
Referenced by mutant_modeler.MutantModeler.get_high_res_command_lines(), and mutant_modeler.MutantModeler.make_high_res_subsets_and_cmd_lines().
def mutant_modeler.MutantModeler.make_high_res_subsets_and_cmd_lines | ( | self, | |
index, | |||
mut_subsets, | |||
mutant_seq_full, | |||
native_pdb, | |||
mut_depends | |||
) |
References mutant_modeler.MutantModeler.cmd_opts, mutant_modeler.MutantModeler.figure_out_protein_pack_reps(), join(), ObjexxFCL.len(), mutant_modeler.MutantModeler.make_high_res_subsets_and_cmd_lines(), DRRAFTER_util.make_tag_with_dashes(), basic::database.open(), range, mutant_modeler.MutantModeler.rosetta_prefix, mutant_modeler.MutantModeler.run_local, InterfaceDDGMover.sfxn(), ScoreFunctionFingerprintMover.sfxn(), mutant_modeler.MutantModeler.sfxn, str(), mutant_modeler.MutantModeler.wt_pdb_tag, and mutant_modeler.MutantModeler.wt_struct.
Referenced by mutant_modeler.MutantModeler.get_high_res_command_lines().
def mutant_modeler.MutantModeler.set_cmd_opts | ( | self, | |
cmd_opts | |||
) |
References mutant_modeler.MutantModeler.cmd_opts.
Referenced by mutant_modeler.MutantModeler.set_cmd_opts().
def mutant_modeler.MutantModeler.set_cmd_opts | ( | self, | |
cmd_opts | |||
) |
def mutant_modeler.MutantModeler.set_protein_pack_reps | ( | self, | |
protein_pack_reps | |||
) |
References mutant_modeler.MutantModeler.protein_pack_reps.
Referenced by mutant_modeler.MutantModeler.set_protein_pack_reps().
def mutant_modeler.MutantModeler.set_protein_pack_reps | ( | self, | |
protein_pack_reps | |||
) |
def mutant_modeler.MutantModeler.set_rosetta_prefix | ( | self, | |
prefix | |||
) |
References mutant_modeler.MutantModeler.rosetta_prefix.
Referenced by mutant_modeler.MutantModeler.set_rosetta_prefix().
def mutant_modeler.MutantModeler.set_rosetta_prefix | ( | self, | |
prefix | |||
) |
def mutant_modeler.MutantModeler.set_run_locally | ( | self, | |
value | |||
) |
References mutant_modeler.MutantModeler.run_local.
Referenced by mutant_modeler.MutantModeler.set_run_locally().
def mutant_modeler.MutantModeler.set_run_locally | ( | self, | |
value | |||
) |
def mutant_modeler.MutantModeler.set_sfxn | ( | self, | |
sfxn | |||
) |
References InterfaceDDGMover.sfxn(), ScoreFunctionFingerprintMover.sfxn(), and mutant_modeler.MutantModeler.sfxn.
Referenced by mutant_modeler.MutantModeler.set_sfxn().
def mutant_modeler.MutantModeler.set_sfxn | ( | self, | |
sfxn | |||
) |
def mutant_modeler.MutantModeler.set_wt_RNA_secstruct | ( | self, | |
secstruct | |||
) |
def mutant_modeler.MutantModeler.set_wt_RNA_secstruct | ( | self, | |
secstruct | |||
) |
def mutant_modeler.MutantModeler.write_mutfile | ( | self, | |
mut_indices, | |||
mutant_seq, | |||
input_file, | |||
mfil_name | |||
) |
References mutant_modeler.MutantModeler.compare_to_full_WT, ObjexxFCL.len(), mutant_modeler.MutantModeler.map_RNA_index_to_full, and basic::database.open().
Referenced by mutant_modeler.MutantModeler.get_high_res_command_lines(), mutant_modeler.MutantModeler.get_low_res_command_lines(), mutant_modeler.MutantModeler.get_med_res_command_lines(), and mutant_modeler.MutantModeler.write_mutfile().
def mutant_modeler.MutantModeler.write_mutfile | ( | self, | |
mut_indices, | |||
mutant_seq, | |||
input_file, | |||
mfil_name | |||
) |
References mutant_modeler.MutantModeler.compare_to_full_WT, ObjexxFCL.len(), mutant_modeler.MutantModeler.map_RNA_index_to_full, basic::database.open(), and mutant_modeler.MutantModeler.write_mutfile().
Referenced by mutant_modeler.MutantModeler.get_high_res_command_lines(), mutant_modeler.MutantModeler.get_low_res_command_lines(), and mutant_modeler.MutantModeler.get_med_res_command_lines().
mutant_modeler.MutantModeler.cmd_opts |
Referenced by mutant_modeler.MutantModeler.__init__(), mutant_modeler.MutantModeler.get_high_res_command_lines(), mutant_modeler.MutantModeler.get_low_res_command_lines(), mutant_modeler.MutantModeler.get_med_res_command_lines(), mutant_modeler.MutantModeler.make_high_res_subsets_and_cmd_lines(), and mutant_modeler.MutantModeler.set_cmd_opts().
mutant_modeler.MutantModeler.compare_to_full_WT |
Referenced by mutant_modeler.MutantModeler.__init__(), mutant_modeler.MutantModeler.add_mutant(), mutant_modeler.MutantModeler.figure_out_protein_pack_reps(), mutant_modeler.MutantModeler.get_high_res_command_lines(), mutant_modeler.MutantModeler.get_med_res_command_lines(), mutant_modeler.MutantModeler.get_mut_positions(), and mutant_modeler.MutantModeler.write_mutfile().
mutant_modeler.MutantModeler.high_res_WT_rebuild |
mutant_modeler.MutantModeler.map_RNA_index_to_full |
mutant_modeler.MutantModeler.med_res_WT_rebuild |
mutant_modeler.MutantModeler.method |
mutant_modeler.MutantModeler.mutant_index |
Referenced by mutant_modeler.MutantModeler.__init__(), and mutant_modeler.MutantModeler.add_mutant().
mutant_modeler.MutantModeler.mutant_seqs |
Referenced by mutant_modeler.MutantModeler.__init__(), mutant_modeler.MutantModeler.add_mutant(), mutant_modeler.MutantModeler.figure_out_protein_pack_reps(), mutant_modeler.MutantModeler.get_high_res_command_lines(), mutant_modeler.MutantModeler.get_low_res_command_lines(), and mutant_modeler.MutantModeler.get_med_res_command_lines().
mutant_modeler.MutantModeler.mutant_subsets |
mutant_modeler.MutantModeler.protein_pack_reps |
mutant_modeler.MutantModeler.rosetta_prefix |
Referenced by mutant_modeler.MutantModeler.__init__(), mutant_modeler.MutantModeler.get_high_res_command_lines(), mutant_modeler.MutantModeler.get_low_res_command_lines(), mutant_modeler.MutantModeler.get_med_res_command_lines(), mutant_modeler.MutantModeler.make_high_res_subsets_and_cmd_lines(), and mutant_modeler.MutantModeler.set_rosetta_prefix().
mutant_modeler.MutantModeler.run_local |
mutant_modeler.MutantModeler.sfxn |
mutant_modeler.MutantModeler.wt_base_pairs |
mutant_modeler.MutantModeler.wt_pdb_tag |
mutant_modeler.MutantModeler.wt_RNA_secstruct |
mutant_modeler.MutantModeler.wt_struct |
Referenced by mutant_modeler.MutantModeler.__init__(), mutant_modeler.MutantModeler.get_high_res_command_lines(), mutant_modeler.MutantModeler.get_low_res_command_lines(), mutant_modeler.MutantModeler.get_med_res_command_lines(), and mutant_modeler.MutantModeler.make_high_res_subsets_and_cmd_lines().