task¶
Bindings for core::pack::task namespace
- class pyrosetta.rosetta.core.pack.task.ALLAA¶
Bases:
ResfileCommand
ALLAA is deprecated; allows repacking and designing to any canonical residue (default state of PackerTask)
- assign(self: pyrosetta.rosetta.core.pack.task.ALLAA, : pyrosetta.rosetta.core.pack.task.ALLAA) pyrosetta.rosetta.core.pack.task.ALLAA ¶
C++: core::pack::task::ALLAA::operator=(const class core::pack::task::ALLAA &) –> class core::pack::task::ALLAA &
- clone(self: pyrosetta.rosetta.core.pack.task.ALLAA) pyrosetta.rosetta.core.pack.task.ResfileCommand ¶
C++: core::pack::task::ALLAA::clone() const –> class std::shared_ptr<class core::pack::task::ResfileCommand>
- get_name(self: pyrosetta.rosetta.core.pack.task.ALLAA) str ¶
C++: core::pack::task::ALLAA::get_name() –> std::string
- initialize_from_tokens(self: pyrosetta.rosetta.core.pack.task.ALLAA, tokens: pyrosetta.rosetta.utility.vector1_std_string, which_token: int, resid: int) None ¶
C++: core::pack::task::ALLAA::initialize_from_tokens(const class utility::vector1<std::string, class std::allocator<std::string > > &, unsigned long &, unsigned long) –> void
- static name() str ¶
C++: core::pack::task::ALLAA::name() –> std::string
- class pyrosetta.rosetta.core.pack.task.ALLAAwc¶
Bases:
ResfileCommand
allows repacking and designing to any canonical residue (default state of PackerTask)
- assign(self: pyrosetta.rosetta.core.pack.task.ALLAAwc, : pyrosetta.rosetta.core.pack.task.ALLAAwc) pyrosetta.rosetta.core.pack.task.ALLAAwc ¶
C++: core::pack::task::ALLAAwc::operator=(const class core::pack::task::ALLAAwc &) –> class core::pack::task::ALLAAwc &
- clone(self: pyrosetta.rosetta.core.pack.task.ALLAAwc) pyrosetta.rosetta.core.pack.task.ResfileCommand ¶
C++: core::pack::task::ALLAAwc::clone() const –> class std::shared_ptr<class core::pack::task::ResfileCommand>
- get_name(self: pyrosetta.rosetta.core.pack.task.ALLAAwc) str ¶
C++: core::pack::task::ALLAAwc::get_name() –> std::string
- initialize_from_tokens(self: pyrosetta.rosetta.core.pack.task.ALLAAwc, tokens: pyrosetta.rosetta.utility.vector1_std_string, which_token: int, resid: int) None ¶
C++: core::pack::task::ALLAAwc::initialize_from_tokens(const class utility::vector1<std::string, class std::allocator<std::string > > &, unsigned long &, unsigned long) –> void
- static name() str ¶
C++: core::pack::task::ALLAAwc::name() –> std::string
- class pyrosetta.rosetta.core.pack.task.ALLAAxc¶
Bases:
ResfileCommand
ALLAAxc allows repacking and designing to any canonical noncysteine residue
- assign(self: pyrosetta.rosetta.core.pack.task.ALLAAxc, : pyrosetta.rosetta.core.pack.task.ALLAAxc) pyrosetta.rosetta.core.pack.task.ALLAAxc ¶
C++: core::pack::task::ALLAAxc::operator=(const class core::pack::task::ALLAAxc &) –> class core::pack::task::ALLAAxc &
- clone(self: pyrosetta.rosetta.core.pack.task.ALLAAxc) pyrosetta.rosetta.core.pack.task.ResfileCommand ¶
C++: core::pack::task::ALLAAxc::clone() const –> class std::shared_ptr<class core::pack::task::ResfileCommand>
- get_name(self: pyrosetta.rosetta.core.pack.task.ALLAAxc) str ¶
C++: core::pack::task::ALLAAxc::get_name() –> std::string
- initialize_from_tokens(self: pyrosetta.rosetta.core.pack.task.ALLAAxc, tokens: pyrosetta.rosetta.utility.vector1_std_string, which_token: int, resid: int) None ¶
C++: core::pack::task::ALLAAxc::initialize_from_tokens(const class utility::vector1<std::string, class std::allocator<std::string > > &, unsigned long &, unsigned long) –> void
- static name() str ¶
C++: core::pack::task::ALLAAxc::name() –> std::string
- class pyrosetta.rosetta.core.pack.task.APOLA¶
Bases:
ResfileCommand
APOLA is a deprecated version of APOLAR allows nonpolar residues and packing
- assign(self: pyrosetta.rosetta.core.pack.task.APOLA, : pyrosetta.rosetta.core.pack.task.APOLA) pyrosetta.rosetta.core.pack.task.APOLA ¶
C++: core::pack::task::APOLA::operator=(const class core::pack::task::APOLA &) –> class core::pack::task::APOLA &
- clone(self: pyrosetta.rosetta.core.pack.task.APOLA) pyrosetta.rosetta.core.pack.task.ResfileCommand ¶
C++: core::pack::task::APOLA::clone() const –> class std::shared_ptr<class core::pack::task::ResfileCommand>
- get_name(self: pyrosetta.rosetta.core.pack.task.APOLA) str ¶
C++: core::pack::task::APOLA::get_name() –> std::string
- initialize_from_tokens(self: pyrosetta.rosetta.core.pack.task.APOLA, tokens: pyrosetta.rosetta.utility.vector1_std_string, which_token: int, resid: int) None ¶
C++: core::pack::task::APOLA::initialize_from_tokens(const class utility::vector1<std::string, class std::allocator<std::string > > &, unsigned long &, unsigned long) –> void
- static name() str ¶
C++: core::pack::task::APOLA::name() –> std::string
- class pyrosetta.rosetta.core.pack.task.APOLAR¶
Bases:
ResfileCommand
APOLAR allows nonpolar residues and packing
- assign(self: pyrosetta.rosetta.core.pack.task.APOLAR, : pyrosetta.rosetta.core.pack.task.APOLAR) pyrosetta.rosetta.core.pack.task.APOLAR ¶
C++: core::pack::task::APOLAR::operator=(const class core::pack::task::APOLAR &) –> class core::pack::task::APOLAR &
- clone(self: pyrosetta.rosetta.core.pack.task.APOLAR) pyrosetta.rosetta.core.pack.task.ResfileCommand ¶
C++: core::pack::task::APOLAR::clone() const –> class std::shared_ptr<class core::pack::task::ResfileCommand>
- get_name(self: pyrosetta.rosetta.core.pack.task.APOLAR) str ¶
C++: core::pack::task::APOLAR::get_name() –> std::string
- initialize_from_tokens(self: pyrosetta.rosetta.core.pack.task.APOLAR, tokens: pyrosetta.rosetta.utility.vector1_std_string, which_token: int, resid: int) None ¶
C++: core::pack::task::APOLAR::initialize_from_tokens(const class utility::vector1<std::string, class std::allocator<std::string > > &, unsigned long &, unsigned long) –> void
- static name() str ¶
C++: core::pack::task::APOLAR::name() –> std::string
- class pyrosetta.rosetta.core.pack.task.AROMATIC¶
Bases:
ResfileCommand
AROMATIC allows designing only aromatic residues. JAB
- assign(self: pyrosetta.rosetta.core.pack.task.AROMATIC, : pyrosetta.rosetta.core.pack.task.AROMATIC) pyrosetta.rosetta.core.pack.task.AROMATIC ¶
C++: core::pack::task::AROMATIC::operator=(const class core::pack::task::AROMATIC &) –> class core::pack::task::AROMATIC &
- clone(self: pyrosetta.rosetta.core.pack.task.AROMATIC) pyrosetta.rosetta.core.pack.task.ResfileCommand ¶
C++: core::pack::task::AROMATIC::clone() const –> class std::shared_ptr<class core::pack::task::ResfileCommand>
- get_name(self: pyrosetta.rosetta.core.pack.task.AROMATIC) str ¶
C++: core::pack::task::AROMATIC::get_name() –> std::string
- initialize_from_tokens(self: pyrosetta.rosetta.core.pack.task.AROMATIC, tokens: pyrosetta.rosetta.utility.vector1_std_string, which_token: int, resid: int) None ¶
C++: core::pack::task::AROMATIC::initialize_from_tokens(const class utility::vector1<std::string, class std::allocator<std::string > > &, unsigned long &, unsigned long) –> void
- static name() str ¶
C++: core::pack::task::AROMATIC::name() –> std::string
- class pyrosetta.rosetta.core.pack.task.AUTO¶
Bases:
ResfileCommand
AUTO suggests that a packer can/should reconsider the design setting at a/each residue
This is a protocol-level flag to be used in non-vanilla packers. For example, one may want an ALLAA tag to be effective only if the residue is in an automatically-determined region of interest, without knowing which residues qualify a-priori
ashworth
- assign(self: pyrosetta.rosetta.core.pack.task.AUTO, : pyrosetta.rosetta.core.pack.task.AUTO) pyrosetta.rosetta.core.pack.task.AUTO ¶
C++: core::pack::task::AUTO::operator=(const class core::pack::task::AUTO &) –> class core::pack::task::AUTO &
- clone(self: pyrosetta.rosetta.core.pack.task.AUTO) pyrosetta.rosetta.core.pack.task.ResfileCommand ¶
C++: core::pack::task::AUTO::clone() const –> class std::shared_ptr<class core::pack::task::ResfileCommand>
- get_name(self: pyrosetta.rosetta.core.pack.task.AUTO) str ¶
C++: core::pack::task::AUTO::get_name() –> std::string
- initialize_from_tokens(self: pyrosetta.rosetta.core.pack.task.AUTO, tokens: pyrosetta.rosetta.utility.vector1_std_string, which_token: int, resid: int) None ¶
C++: core::pack::task::AUTO::initialize_from_tokens(const class utility::vector1<std::string, class std::allocator<std::string > > &, unsigned long &, unsigned long) –> void
- static name() str ¶
C++: core::pack::task::AUTO::name() –> std::string
- class pyrosetta.rosetta.core.pack.task.CHARGED¶
Bases:
ResfileCommand
CHARGED allows charged residues and packing JAB
- assign(self: pyrosetta.rosetta.core.pack.task.CHARGED, : pyrosetta.rosetta.core.pack.task.CHARGED) pyrosetta.rosetta.core.pack.task.CHARGED ¶
C++: core::pack::task::CHARGED::operator=(const class core::pack::task::CHARGED &) –> class core::pack::task::CHARGED &
- clone(self: pyrosetta.rosetta.core.pack.task.CHARGED) pyrosetta.rosetta.core.pack.task.ResfileCommand ¶
C++: core::pack::task::CHARGED::clone() const –> class std::shared_ptr<class core::pack::task::ResfileCommand>
- get_name(self: pyrosetta.rosetta.core.pack.task.CHARGED) str ¶
C++: core::pack::task::CHARGED::get_name() –> std::string
- initialize_from_tokens(self: pyrosetta.rosetta.core.pack.task.CHARGED, tokens: pyrosetta.rosetta.utility.vector1_std_string, which_token: int, resid: int) None ¶
C++: core::pack::task::CHARGED::initialize_from_tokens(const class utility::vector1<std::string, class std::allocator<std::string > > &, unsigned long &, unsigned long) –> void
- static name() str ¶
C++: core::pack::task::CHARGED::name() –> std::string
- class pyrosetta.rosetta.core.pack.task.EX¶
Bases:
ResfileCommand
EX handles the various extrachi options
- assign(self: pyrosetta.rosetta.core.pack.task.EX, : pyrosetta.rosetta.core.pack.task.EX) pyrosetta.rosetta.core.pack.task.EX ¶
C++: core::pack::task::EX::operator=(const class core::pack::task::EX &) –> class core::pack::task::EX &
- clone(self: pyrosetta.rosetta.core.pack.task.EX) pyrosetta.rosetta.core.pack.task.ResfileCommand ¶
C++: core::pack::task::EX::clone() const –> class std::shared_ptr<class core::pack::task::ResfileCommand>
- get_name(self: pyrosetta.rosetta.core.pack.task.EX) str ¶
C++: core::pack::task::EX::get_name() –> std::string
- initialize_from_tokens(self: pyrosetta.rosetta.core.pack.task.EX, tokens: pyrosetta.rosetta.utility.vector1_std_string, which_token: int, resid: int) None ¶
C++: core::pack::task::EX::initialize_from_tokens(const class utility::vector1<std::string, class std::allocator<std::string > > &, unsigned long &, unsigned long) –> void
- static name() str ¶
C++: core::pack::task::EX::name() –> std::string
- class pyrosetta.rosetta.core.pack.task.EX_CUTOFF¶
Bases:
ResfileCommand
EX_CUTOFF allows setting of the extrachi_cutoff (for determining burial for extra rotamers)
- assign(self: pyrosetta.rosetta.core.pack.task.EX_CUTOFF, : pyrosetta.rosetta.core.pack.task.EX_CUTOFF) pyrosetta.rosetta.core.pack.task.EX_CUTOFF ¶
C++: core::pack::task::EX_CUTOFF::operator=(const class core::pack::task::EX_CUTOFF &) –> class core::pack::task::EX_CUTOFF &
- clone(self: pyrosetta.rosetta.core.pack.task.EX_CUTOFF) pyrosetta.rosetta.core.pack.task.ResfileCommand ¶
C++: core::pack::task::EX_CUTOFF::clone() const –> class std::shared_ptr<class core::pack::task::ResfileCommand>
- get_name(self: pyrosetta.rosetta.core.pack.task.EX_CUTOFF) str ¶
C++: core::pack::task::EX_CUTOFF::get_name() –> std::string
- initialize_from_tokens(self: pyrosetta.rosetta.core.pack.task.EX_CUTOFF, tokens: pyrosetta.rosetta.utility.vector1_std_string, which_token: int, resid: int) None ¶
C++: core::pack::task::EX_CUTOFF::initialize_from_tokens(const class utility::vector1<std::string, class std::allocator<std::string > > &, unsigned long &, unsigned long) –> void
- static name() str ¶
C++: core::pack::task::EX_CUTOFF::name() –> std::string
- class pyrosetta.rosetta.core.pack.task.ExtraRotSample¶
Bases:
pybind11_object
levels of extra rotamer sampling, i.e., step size and number of steps.
Members:
NO_EXTRA_CHI_SAMPLES
EX_ONE_STDDEV
EX_ONE_HALF_STEP_STDDEV
EX_TWO_FULL_STEP_STDDEVS
EX_TWO_HALF_STEP_STDDEVS
EX_FOUR_HALF_STEP_STDDEVS
EX_THREE_THIRD_STEP_STDDEVS
EX_SIX_QUARTER_STEP_STDDEVS
ExtraRotSampleCardinality
- EX_FOUR_HALF_STEP_STDDEVS = <ExtraRotSample.EX_FOUR_HALF_STEP_STDDEVS: 5>¶
- EX_ONE_HALF_STEP_STDDEV = <ExtraRotSample.EX_ONE_HALF_STEP_STDDEV: 2>¶
- EX_ONE_STDDEV = <ExtraRotSample.EX_ONE_STDDEV: 1>¶
- EX_SIX_QUARTER_STEP_STDDEVS = <ExtraRotSample.EX_SIX_QUARTER_STEP_STDDEVS: 7>¶
- EX_THREE_THIRD_STEP_STDDEVS = <ExtraRotSample.EX_THREE_THIRD_STEP_STDDEVS: 6>¶
- EX_TWO_FULL_STEP_STDDEVS = <ExtraRotSample.EX_TWO_FULL_STEP_STDDEVS: 3>¶
- EX_TWO_HALF_STEP_STDDEVS = <ExtraRotSample.EX_TWO_HALF_STEP_STDDEVS: 4>¶
- ExtraRotSampleCardinality = <ExtraRotSample.ExtraRotSampleCardinality: 8>¶
- NO_EXTRA_CHI_SAMPLES = <ExtraRotSample.NO_EXTRA_CHI_SAMPLES: 0>¶
- property name¶
- property value¶
- class pyrosetta.rosetta.core.pack.task.FIX_HIS_TAUTOMER¶
Bases:
ResfileCommand
FIX_HIS_TAUTOMER: when a histidine is present when the PackerTask is initialized, this flag will fix its tautomer (whether its hydrogen is on ND1 or NE2. Does nothing if not histidine at initialization (meaning if it mutates to histidine later this flag will have no effect).
- assign(self: pyrosetta.rosetta.core.pack.task.FIX_HIS_TAUTOMER, : pyrosetta.rosetta.core.pack.task.FIX_HIS_TAUTOMER) pyrosetta.rosetta.core.pack.task.FIX_HIS_TAUTOMER ¶
C++: core::pack::task::FIX_HIS_TAUTOMER::operator=(const class core::pack::task::FIX_HIS_TAUTOMER &) –> class core::pack::task::FIX_HIS_TAUTOMER &
- clone(self: pyrosetta.rosetta.core.pack.task.FIX_HIS_TAUTOMER) pyrosetta.rosetta.core.pack.task.ResfileCommand ¶
C++: core::pack::task::FIX_HIS_TAUTOMER::clone() const –> class std::shared_ptr<class core::pack::task::ResfileCommand>
- get_name(self: pyrosetta.rosetta.core.pack.task.FIX_HIS_TAUTOMER) str ¶
C++: core::pack::task::FIX_HIS_TAUTOMER::get_name() –> std::string
- initialize_from_tokens(self: pyrosetta.rosetta.core.pack.task.FIX_HIS_TAUTOMER, tokens: pyrosetta.rosetta.utility.vector1_std_string, which_token: int, resid: int) None ¶
C++: core::pack::task::FIX_HIS_TAUTOMER::initialize_from_tokens(const class utility::vector1<std::string, class std::allocator<std::string > > &, unsigned long &, unsigned long) –> void
- static name() str ¶
C++: core::pack::task::FIX_HIS_TAUTOMER::name() –> std::string
- class pyrosetta.rosetta.core.pack.task.IGEdgeReweightContainer¶
Bases:
pybind11_object
class that interfaces to containers holding IGedge weights between individual residues of the task
note: this class only knows about the pose numbering, not about the numbers in the IG
- add_reweighter(self: pyrosetta.rosetta.core.pack.task.IGEdgeReweightContainer, reweighter: pyrosetta.rosetta.core.pack.task.IGEdgeReweighter) None ¶
C++: core::pack::task::IGEdgeReweightContainer::add_reweighter(class std::shared_ptr<class core::pack::task::IGEdgeReweighter>) –> void
- assign(self: pyrosetta.rosetta.core.pack.task.IGEdgeReweightContainer, : pyrosetta.rosetta.core.pack.task.IGEdgeReweightContainer) pyrosetta.rosetta.core.pack.task.IGEdgeReweightContainer ¶
C++: core::pack::task::IGEdgeReweightContainer::operator=(const class core::pack::task::IGEdgeReweightContainer &) –> class core::pack::task::IGEdgeReweightContainer &
- res_res_weight(self: pyrosetta.rosetta.core.pack.task.IGEdgeReweightContainer, pose: pyrosetta.rosetta.core.pose.Pose, task: pyrosetta.rosetta.core.pack.task.PackerTask, res1id: int, res2id: int) float ¶
C++: core::pack::task::IGEdgeReweightContainer::res_res_weight(const class core::pose::Pose &, const class core::pack::task::PackerTask &, unsigned long, unsigned long) const –> double
- class pyrosetta.rosetta.core.pack.task.IGEdgeReweighter¶
Bases:
pybind11_object
helper class for IGEdgeReweightContainer
- get_edge_reweight(self: pyrosetta.rosetta.core.pack.task.IGEdgeReweighter, pose: pyrosetta.rosetta.core.pose.Pose, task: pyrosetta.rosetta.core.pack.task.PackerTask, res1: int, res2: int) float ¶
C++: core::pack::task::IGEdgeReweighter::get_edge_reweight(const class core::pose::Pose &, const class core::pack::task::PackerTask &, unsigned long, unsigned long) const –> double
- class pyrosetta.rosetta.core.pack.task.NATAA¶
Bases:
ResfileCommand
NATAA allows repacking but no sequence changes (all rotamers are of the original residue)
- assign(self: pyrosetta.rosetta.core.pack.task.NATAA, : pyrosetta.rosetta.core.pack.task.NATAA) pyrosetta.rosetta.core.pack.task.NATAA ¶
C++: core::pack::task::NATAA::operator=(const class core::pack::task::NATAA &) –> class core::pack::task::NATAA &
- clone(self: pyrosetta.rosetta.core.pack.task.NATAA) pyrosetta.rosetta.core.pack.task.ResfileCommand ¶
C++: core::pack::task::NATAA::clone() const –> class std::shared_ptr<class core::pack::task::ResfileCommand>
- get_name(self: pyrosetta.rosetta.core.pack.task.NATAA) str ¶
C++: core::pack::task::NATAA::get_name() –> std::string
- initialize_from_tokens(self: pyrosetta.rosetta.core.pack.task.NATAA, tokens: pyrosetta.rosetta.utility.vector1_std_string, which_token: int, resid: int) None ¶
C++: core::pack::task::NATAA::initialize_from_tokens(const class utility::vector1<std::string, class std::allocator<std::string > > &, unsigned long &, unsigned long) –> void
- static name() str ¶
C++: core::pack::task::NATAA::name() –> std::string
- class pyrosetta.rosetta.core.pack.task.NATRO¶
Bases:
ResfileCommand
NATRO disables packing and designing at a position, the residue will be totally unchanged
- assign(self: pyrosetta.rosetta.core.pack.task.NATRO, : pyrosetta.rosetta.core.pack.task.NATRO) pyrosetta.rosetta.core.pack.task.NATRO ¶
C++: core::pack::task::NATRO::operator=(const class core::pack::task::NATRO &) –> class core::pack::task::NATRO &
- clone(self: pyrosetta.rosetta.core.pack.task.NATRO) pyrosetta.rosetta.core.pack.task.ResfileCommand ¶
C++: core::pack::task::NATRO::clone() const –> class std::shared_ptr<class core::pack::task::ResfileCommand>
- get_name(self: pyrosetta.rosetta.core.pack.task.NATRO) str ¶
C++: core::pack::task::NATRO::get_name() –> std::string
- initialize_from_tokens(self: pyrosetta.rosetta.core.pack.task.NATRO, tokens: pyrosetta.rosetta.utility.vector1_std_string, which_token: int, resid: int) None ¶
C++: core::pack::task::NATRO::initialize_from_tokens(const class utility::vector1<std::string, class std::allocator<std::string > > &, unsigned long &, unsigned long) –> void
- static name() str ¶
C++: core::pack::task::NATRO::name() –> std::string
- class pyrosetta.rosetta.core.pack.task.NOTAA¶
Bases:
ResfileCommand
NOTAA disallows residues specified in a following string, and allows packing
- add_base_name_to_exclude(self: pyrosetta.rosetta.core.pack.task.NOTAA, basename: str) None ¶
Add a base name to the list of base names to exclude.
Vikram K. Mulligan (vmulligan.org).
C++: core::pack::task::NOTAA::add_base_name_to_exclude(const std::string &) –> void
- assign(self: pyrosetta.rosetta.core.pack.task.NOTAA, : pyrosetta.rosetta.core.pack.task.NOTAA) pyrosetta.rosetta.core.pack.task.NOTAA ¶
C++: core::pack::task::NOTAA::operator=(const class core::pack::task::NOTAA &) –> class core::pack::task::NOTAA &
- clone(self: pyrosetta.rosetta.core.pack.task.NOTAA) pyrosetta.rosetta.core.pack.task.ResfileCommand ¶
C++: core::pack::task::NOTAA::clone() const –> class std::shared_ptr<class core::pack::task::ResfileCommand>
- get_name(self: pyrosetta.rosetta.core.pack.task.NOTAA) str ¶
C++: core::pack::task::NOTAA::get_name() –> std::string
- initialize_from_tokens(self: pyrosetta.rosetta.core.pack.task.NOTAA, tokens: pyrosetta.rosetta.utility.vector1_std_string, which_token: int, resid: int) None ¶
C++: core::pack::task::NOTAA::initialize_from_tokens(const class utility::vector1<std::string, class std::allocator<std::string > > &, unsigned long &, unsigned long) –> void
- static name() str ¶
C++: core::pack::task::NOTAA::name() –> std::string
- class pyrosetta.rosetta.core.pack.task.NO_ADDUCTS¶
Bases:
ResfileCommand
NO_ADDUCTS will disable adducts, assuming they exist
This command exists because if adducts exist, then they are enabled by default for all residues.
ashworth
- assign(self: pyrosetta.rosetta.core.pack.task.NO_ADDUCTS, : pyrosetta.rosetta.core.pack.task.NO_ADDUCTS) pyrosetta.rosetta.core.pack.task.NO_ADDUCTS ¶
C++: core::pack::task::NO_ADDUCTS::operator=(const class core::pack::task::NO_ADDUCTS &) –> class core::pack::task::NO_ADDUCTS &
- clone(self: pyrosetta.rosetta.core.pack.task.NO_ADDUCTS) pyrosetta.rosetta.core.pack.task.ResfileCommand ¶
C++: core::pack::task::NO_ADDUCTS::clone() const –> class std::shared_ptr<class core::pack::task::ResfileCommand>
- get_name(self: pyrosetta.rosetta.core.pack.task.NO_ADDUCTS) str ¶
C++: core::pack::task::NO_ADDUCTS::get_name() –> std::string
- initialize_from_tokens(self: pyrosetta.rosetta.core.pack.task.NO_ADDUCTS, tokens: pyrosetta.rosetta.utility.vector1_std_string, which_token: int, resid: int) None ¶
C++: core::pack::task::NO_ADDUCTS::initialize_from_tokens(const class utility::vector1<std::string, class std::allocator<std::string > > &, unsigned long &, unsigned long) –> void
- static name() str ¶
C++: core::pack::task::NO_ADDUCTS::name() –> std::string
- class pyrosetta.rosetta.core.pack.task.PIKAA¶
Bases:
ResfileCommand
PIKAA allows residues specifed in a following string.
In actuality, it is PROHIBITING any residue that is NOT in the following string. The string should be formatted as an all-caps string of one-letter codes. Noncanonical amino acids can be included using X[<full base name>]. For example, to allow tyrosine, threonine, tryptophan, and 2-aminoisobutyric acid, you would use “PIKAA YTWX[AIB]”.
Original author unknown.
Noncanonical pruning support added by Vikram K. Mulligan (vmulligan.org).
- add_base_name_to_keep(self: pyrosetta.rosetta.core.pack.task.PIKAA, basename: str) None ¶
Add a base name to the list of base names to keep.
Vikram K. Mulligan (vmulligan.org).
C++: core::pack::task::PIKAA::add_base_name_to_keep(const std::string &) –> void
- assign(self: pyrosetta.rosetta.core.pack.task.PIKAA, : pyrosetta.rosetta.core.pack.task.PIKAA) pyrosetta.rosetta.core.pack.task.PIKAA ¶
C++: core::pack::task::PIKAA::operator=(const class core::pack::task::PIKAA &) –> class core::pack::task::PIKAA &
- clone(self: pyrosetta.rosetta.core.pack.task.PIKAA) pyrosetta.rosetta.core.pack.task.ResfileCommand ¶
C++: core::pack::task::PIKAA::clone() const –> class std::shared_ptr<class core::pack::task::ResfileCommand>
- get_name(self: pyrosetta.rosetta.core.pack.task.PIKAA) str ¶
C++: core::pack::task::PIKAA::get_name() –> std::string
- initialize_from_tokens(self: pyrosetta.rosetta.core.pack.task.PIKAA, tokens: pyrosetta.rosetta.utility.vector1_std_string, which_token: int, resid: int) None ¶
C++: core::pack::task::PIKAA::initialize_from_tokens(const class utility::vector1<std::string, class std::allocator<std::string > > &, unsigned long &, unsigned long) –> void
- static name() str ¶
C++: core::pack::task::PIKAA::name() –> std::string
- class pyrosetta.rosetta.core.pack.task.PIKNA¶
Bases:
ResfileCommand
PIKNA allows nucleic acid residues specifed in a following string
- assign(self: pyrosetta.rosetta.core.pack.task.PIKNA, : pyrosetta.rosetta.core.pack.task.PIKNA) pyrosetta.rosetta.core.pack.task.PIKNA ¶
C++: core::pack::task::PIKNA::operator=(const class core::pack::task::PIKNA &) –> class core::pack::task::PIKNA &
- clone(self: pyrosetta.rosetta.core.pack.task.PIKNA) pyrosetta.rosetta.core.pack.task.ResfileCommand ¶
C++: core::pack::task::PIKNA::clone() const –> class std::shared_ptr<class core::pack::task::ResfileCommand>
- get_name(self: pyrosetta.rosetta.core.pack.task.PIKNA) str ¶
C++: core::pack::task::PIKNA::get_name() –> std::string
- initialize_from_tokens(self: pyrosetta.rosetta.core.pack.task.PIKNA, tokens: pyrosetta.rosetta.utility.vector1_std_string, which_token: int, resid: int) None ¶
C++: core::pack::task::PIKNA::initialize_from_tokens(const class utility::vector1<std::string, class std::allocator<std::string > > &, unsigned long &, unsigned long) –> void
- static name() str ¶
C++: core::pack::task::PIKNA::name() –> std::string
- class pyrosetta.rosetta.core.pack.task.POLAR¶
Bases:
ResfileCommand
POLAR allows polar residues and packing
- assign(self: pyrosetta.rosetta.core.pack.task.POLAR, : pyrosetta.rosetta.core.pack.task.POLAR) pyrosetta.rosetta.core.pack.task.POLAR ¶
C++: core::pack::task::POLAR::operator=(const class core::pack::task::POLAR &) –> class core::pack::task::POLAR &
- clone(self: pyrosetta.rosetta.core.pack.task.POLAR) pyrosetta.rosetta.core.pack.task.ResfileCommand ¶
C++: core::pack::task::POLAR::clone() const –> class std::shared_ptr<class core::pack::task::ResfileCommand>
- get_name(self: pyrosetta.rosetta.core.pack.task.POLAR) str ¶
C++: core::pack::task::POLAR::get_name() –> std::string
- initialize_from_tokens(self: pyrosetta.rosetta.core.pack.task.POLAR, tokens: pyrosetta.rosetta.utility.vector1_std_string, which_token: int, resid: int) None ¶
C++: core::pack::task::POLAR::initialize_from_tokens(const class utility::vector1<std::string, class std::allocator<std::string > > &, unsigned long &, unsigned long) –> void
- static name() str ¶
C++: core::pack::task::POLAR::name() –> std::string
- class pyrosetta.rosetta.core.pack.task.PROPERTY¶
Bases:
ResfileCommand
Allows designing on ANY residue type Property. (Only currently works with Cannonical AAs) JAB
- assign(self: pyrosetta.rosetta.core.pack.task.PROPERTY, : pyrosetta.rosetta.core.pack.task.PROPERTY) pyrosetta.rosetta.core.pack.task.PROPERTY ¶
C++: core::pack::task::PROPERTY::operator=(const class core::pack::task::PROPERTY &) –> class core::pack::task::PROPERTY &
- clone(self: pyrosetta.rosetta.core.pack.task.PROPERTY) pyrosetta.rosetta.core.pack.task.ResfileCommand ¶
C++: core::pack::task::PROPERTY::clone() const –> class std::shared_ptr<class core::pack::task::ResfileCommand>
- get_name(self: pyrosetta.rosetta.core.pack.task.PROPERTY) str ¶
C++: core::pack::task::PROPERTY::get_name() –> std::string
- initialize_from_tokens(self: pyrosetta.rosetta.core.pack.task.PROPERTY, tokens: pyrosetta.rosetta.utility.vector1_std_string, which_token: int, resid: int) None ¶
C++: core::pack::task::PROPERTY::initialize_from_tokens(const class utility::vector1<std::string, class std::allocator<std::string > > &, unsigned long &, unsigned long) –> void
- static name() str ¶
C++: core::pack::task::PROPERTY::name() –> std::string
- property property_¶
- class pyrosetta.rosetta.core.pack.task.PackerTask¶
Bases:
pybind11_object
Task class that gives instructions to the packer
- IGEdgeReweights(self: pyrosetta.rosetta.core.pack.task.PackerTask) core::pack::task::IGEdgeReweightContainer ¶
C++: core::pack::task::PackerTask::IGEdgeReweights() const –> class std::shared_ptr<const class core::pack::task::IGEdgeReweightContainer>
- add_behavior(*args, **kwargs)¶
Overloaded function.
add_behavior(self: pyrosetta.rosetta.core.pack.task.PackerTask, behavior: str) -> None
C++: core::pack::task::PackerTask::add_behavior(const std::string &) –> void
add_behavior(self: pyrosetta.rosetta.core.pack.task.PackerTask, behavior: str, resid: int) -> None
C++: core::pack::task::PackerTask::add_behavior(const std::string &, unsigned long) –> void
- adducts(self: pyrosetta.rosetta.core.pack.task.PackerTask, resid: int) bool ¶
C++: core::pack::task::PackerTask::adducts(unsigned long) const –> bool
- and_linmem_ig(self: pyrosetta.rosetta.core.pack.task.PackerTask, setting: bool) None ¶
C++: core::pack::task::PackerTask::and_linmem_ig(bool) –> void
- and_max_rotbump_energy(self: pyrosetta.rosetta.core.pack.task.PackerTask, setting: float) None ¶
C++: core::pack::task::PackerTask::and_max_rotbump_energy(double) –> void
- append_rotamer_operation(self: pyrosetta.rosetta.core.pack.task.PackerTask, rotop: core::pack::rotamer_set::RotamerOperation) None ¶
C++: core::pack::task::PackerTask::append_rotamer_operation(class std::shared_ptr<class core::pack::rotamer_set::RotamerOperation>) –> void
- append_rotamerset_operation(self: pyrosetta.rosetta.core.pack.task.PackerTask, rotsetop: core::pack::rotamer_set::RotamerSetOperation) None ¶
C++: core::pack::task::PackerTask::append_rotamerset_operation(class std::shared_ptr<class core::pack::rotamer_set::RotamerSetOperation>) –> void
- append_rotamersets_operation(self: pyrosetta.rosetta.core.pack.task.PackerTask, rotsetsop: core::pack::rotamer_set::RotamerSetsOperation) None ¶
C++: core::pack::task::PackerTask::append_rotamersets_operation(class std::shared_ptr<class core::pack::rotamer_set::RotamerSetsOperation>) –> void
- assign(self: pyrosetta.rosetta.core.pack.task.PackerTask, : pyrosetta.rosetta.core.pack.task.PackerTask) pyrosetta.rosetta.core.pack.task.PackerTask ¶
C++: core::pack::task::PackerTask::operator=(const class core::pack::task::PackerTask &) –> class core::pack::task::PackerTask &
- being_designed(self: pyrosetta.rosetta.core.pack.task.PackerTask, resid: int) bool ¶
C++: core::pack::task::PackerTask::being_designed(unsigned long) const –> bool
- being_packed(self: pyrosetta.rosetta.core.pack.task.PackerTask, resid: int) bool ¶
C++: core::pack::task::PackerTask::being_packed(unsigned long) const –> bool
- bump_check(self: pyrosetta.rosetta.core.pack.task.PackerTask) bool ¶
C++: core::pack::task::PackerTask::bump_check() const –> bool
- clean_residue_task(self: pyrosetta.rosetta.core.pack.task.PackerTask, original_residue: pyrosetta.rosetta.core.conformation.Residue, seqpos: int, pose: pyrosetta.rosetta.core.pose.Pose) None ¶
C++: core::pack::task::PackerTask::clean_residue_task(const class core::conformation::Residue &, const unsigned long, const class core::pose::Pose &) –> void
- clone(self: pyrosetta.rosetta.core.pack.task.PackerTask) pyrosetta.rosetta.core.pack.task.PackerTask ¶
C++: core::pack::task::PackerTask::clone() const –> class std::shared_ptr<class core::pack::task::PackerTask>
- decrease_double_lazy_ig_memlimit(self: pyrosetta.rosetta.core.pack.task.PackerTask, nbytes_for_rpes: int) None ¶
C++: core::pack::task::PackerTask::decrease_double_lazy_ig_memlimit(unsigned long) –> void
- decrease_linmem_ig_history_size(self: pyrosetta.rosetta.core.pack.task.PackerTask, setting: int) None ¶
C++: core::pack::task::PackerTask::decrease_linmem_ig_history_size(unsigned long) –> void
- design_any(self: pyrosetta.rosetta.core.pack.task.PackerTask) bool ¶
C++: core::pack::task::PackerTask::design_any() const –> bool
- design_residue(self: pyrosetta.rosetta.core.pack.task.PackerTask, resid: int) bool ¶
C++: core::pack::task::PackerTask::design_residue(int) const –> bool
- designing_residues(self: pyrosetta.rosetta.core.pack.task.PackerTask) pyrosetta.rosetta.utility.vector1_bool ¶
C++: core::pack::task::PackerTask::designing_residues() const –> class utility::vector1<bool, class std::allocator<bool> >
- disallow_quench(*args, **kwargs)¶
Overloaded function.
disallow_quench(self: pyrosetta.rosetta.core.pack.task.PackerTask, disallow_quench: bool) -> None
C++: core::pack::task::PackerTask::disallow_quench(const bool &) –> void
disallow_quench(self: pyrosetta.rosetta.core.pack.task.PackerTask) -> bool
C++: core::pack::task::PackerTask::disallow_quench() const –> bool
- double_lazy_ig(self: pyrosetta.rosetta.core.pack.task.PackerTask) bool ¶
C++: core::pack::task::PackerTask::double_lazy_ig() const –> bool
- double_lazy_ig_memlimit(self: pyrosetta.rosetta.core.pack.task.PackerTask) int ¶
C++: core::pack::task::PackerTask::double_lazy_ig_memlimit() const –> unsigned long
- get_self_ptr(self: pyrosetta.rosetta.core.pack.task.PackerTask) pyrosetta.rosetta.core.pack.task.PackerTask ¶
C++: core::pack::task::PackerTask::get_self_ptr() –> class std::shared_ptr<class core::pack::task::PackerTask>
- has_behavior(*args, **kwargs)¶
Overloaded function.
has_behavior(self: pyrosetta.rosetta.core.pack.task.PackerTask, behavior: str, resid: int) -> bool
C++: core::pack::task::PackerTask::has_behavior(const std::string &, unsigned long) const –> bool
has_behavior(self: pyrosetta.rosetta.core.pack.task.PackerTask, resid: int) -> bool
C++: core::pack::task::PackerTask::has_behavior(unsigned long) const –> bool
- high_temp(*args, **kwargs)¶
Overloaded function.
high_temp(self: pyrosetta.rosetta.core.pack.task.PackerTask, high_temp: float) -> None
C++: core::pack::task::PackerTask::high_temp(const double &) –> void
high_temp(self: pyrosetta.rosetta.core.pack.task.PackerTask) -> float
C++: core::pack::task::PackerTask::high_temp() const –> double
- ig_threads_to_request(self: pyrosetta.rosetta.core.pack.task.PackerTask) int ¶
How many threads should the packer request for interaction graph precomputation?
Must be implemented by derived class.
Vikram K. Mulligan (vmulligan.org).
C++: core::pack::task::PackerTask::ig_threads_to_request() const –> unsigned long
- include_current(self: pyrosetta.rosetta.core.pack.task.PackerTask, resid: int) bool ¶
C++: core::pack::task::PackerTask::include_current(unsigned long) const –> bool
- increase_multi_cool_annealer_history_size(self: pyrosetta.rosetta.core.pack.task.PackerTask, setting: int) None ¶
C++: core::pack::task::PackerTask::increase_multi_cool_annealer_history_size(unsigned long) –> void
- initialize_extra_rotamer_flags_from_command_line(self: pyrosetta.rosetta.core.pack.task.PackerTask) pyrosetta.rosetta.core.pack.task.PackerTask ¶
C++: core::pack::task::PackerTask::initialize_extra_rotamer_flags_from_command_line() –> class core::pack::task::PackerTask &
- initialize_extra_rotamer_flags_from_options(self: pyrosetta.rosetta.core.pack.task.PackerTask, options: pyrosetta.rosetta.utility.options.OptionCollection) pyrosetta.rosetta.core.pack.task.PackerTask ¶
C++: core::pack::task::PackerTask::initialize_extra_rotamer_flags_from_options(const class utility::options::OptionCollection &) –> class core::pack::task::PackerTask &
- initialize_from_command_line(self: pyrosetta.rosetta.core.pack.task.PackerTask) pyrosetta.rosetta.core.pack.task.PackerTask ¶
C++: core::pack::task::PackerTask::initialize_from_command_line() –> class core::pack::task::PackerTask &
- initialize_from_options(self: pyrosetta.rosetta.core.pack.task.PackerTask, options: pyrosetta.rosetta.utility.options.OptionCollection) pyrosetta.rosetta.core.pack.task.PackerTask ¶
C++: core::pack::task::PackerTask::initialize_from_options(const class utility::options::OptionCollection &) –> class core::pack::task::PackerTask &
- is_initialized(self: pyrosetta.rosetta.core.pack.task.PackerTask) bool ¶
Has this PackerTask been initialized with a PackerPalette?
PackerTasks must be initialized with PackerPalettes before being modified with TaskOperations. The TaskFactory will initialize the PackerTask with a DefaultPackerPalette if no custom PackerPalette is provided.
Vikram K. Mulligan (vmullig.edu).
C++: core::pack::task::PackerTask::is_initialized() const –> bool
- keep_sequence_symmetry(*args, **kwargs)¶
Overloaded function.
keep_sequence_symmetry(self: pyrosetta.rosetta.core.pack.task.PackerTask) -> bool
C++: core::pack::task::PackerTask::keep_sequence_symmetry() const –> bool
keep_sequence_symmetry(self: pyrosetta.rosetta.core.pack.task.PackerTask, setting: bool) -> None
C++: core::pack::task::PackerTask::keep_sequence_symmetry(const bool) –> void
- lazy_ig(self: pyrosetta.rosetta.core.pack.task.PackerTask) bool ¶
C++: core::pack::task::PackerTask::lazy_ig() const –> bool
- limit_ig_setup_threads(self: pyrosetta.rosetta.core.pack.task.PackerTask, setting: int) None ¶
Limit the interaction graph setup threads.
Vikram K. Mulligan (vmulligan.org)
C++: core::pack::task::PackerTask::limit_ig_setup_threads(const unsigned long) –> void
- linmem_ig(self: pyrosetta.rosetta.core.pack.task.PackerTask) bool ¶
C++: core::pack::task::PackerTask::linmem_ig() const –> bool
- linmem_ig_history_size(self: pyrosetta.rosetta.core.pack.task.PackerTask) int ¶
C++: core::pack::task::PackerTask::linmem_ig_history_size() const –> unsigned long
- static list_options_read(read_options: pyrosetta.rosetta.std.list_utility_keys_VariantKey_utility_options_OptionKey_t) None ¶
C++: core::pack::task::PackerTask::list_options_read(class std::list<class utility::keys::VariantKey<class utility::options::OptionKey>, class std::allocator<class utility::keys::VariantKey<class utility::options::OptionKey> > > &) –> void
- low_temp(*args, **kwargs)¶
Overloaded function.
low_temp(self: pyrosetta.rosetta.core.pack.task.PackerTask, low_temp: float) -> None
C++: core::pack::task::PackerTask::low_temp(const double &) –> void
low_temp(self: pyrosetta.rosetta.core.pack.task.PackerTask) -> float
C++: core::pack::task::PackerTask::low_temp() const –> double
- max_rotbump_energy(self: pyrosetta.rosetta.core.pack.task.PackerTask) float ¶
C++: core::pack::task::PackerTask::max_rotbump_energy() const –> double
- multi_cool_annealer(self: pyrosetta.rosetta.core.pack.task.PackerTask) bool ¶
C++: core::pack::task::PackerTask::multi_cool_annealer() const –> bool
- multi_cool_annealer_history_size(self: pyrosetta.rosetta.core.pack.task.PackerTask) int ¶
C++: core::pack::task::PackerTask::multi_cool_annealer_history_size() const –> unsigned long
- nonconst_residue_task(self: pyrosetta.rosetta.core.pack.task.PackerTask, resid: int) core::pack::task::ResidueLevelTask ¶
C++: core::pack::task::PackerTask::nonconst_residue_task(unsigned long) –> class core::pack::task::ResidueLevelTask &
- num_to_be_packed(self: pyrosetta.rosetta.core.pack.task.PackerTask) int ¶
C++: core::pack::task::PackerTask::num_to_be_packed() const –> unsigned long
- or_adducts(*args, **kwargs)¶
Overloaded function.
or_adducts(self: pyrosetta.rosetta.core.pack.task.PackerTask, setting: bool) -> None
C++: core::pack::task::PackerTask::or_adducts(bool) –> void
or_adducts(self: pyrosetta.rosetta.core.pack.task.PackerTask, setting: bool, resid: int) -> None
C++: core::pack::task::PackerTask::or_adducts(bool, unsigned long) –> void
- or_double_lazy_ig(self: pyrosetta.rosetta.core.pack.task.PackerTask, setting: bool) None ¶
Activates the DoubleLazyInteractionGraph, which computes rotamer pair energies at most once, and delays allocating memory to hold them until needed. Used for multistate design.
C++: core::pack::task::PackerTask::or_double_lazy_ig(bool) –> void
- or_fix_his_tautomer(self: pyrosetta.rosetta.core.pack.task.PackerTask, positions: pyrosetta.rosetta.utility.vector1_int, setting: bool) None ¶
C++: core::pack::task::PackerTask::or_fix_his_tautomer(const class utility::vector1<int, class std::allocator<int> > &, bool) –> void
- or_flip_HNQ(self: pyrosetta.rosetta.core.pack.task.PackerTask, setting: bool) None ¶
C++: core::pack::task::PackerTask::or_flip_HNQ(bool) –> void
- or_include_current(*args, **kwargs)¶
Overloaded function.
or_include_current(self: pyrosetta.rosetta.core.pack.task.PackerTask, setting: bool) -> None
C++: core::pack::task::PackerTask::or_include_current(bool) –> void
or_include_current(self: pyrosetta.rosetta.core.pack.task.PackerTask, setting: bool, resid: int) -> None
C++: core::pack::task::PackerTask::or_include_current(bool, unsigned long) –> void
- or_lazy_ig(self: pyrosetta.rosetta.core.pack.task.PackerTask, setting: bool) None ¶
Activate a LazyInteractionGraph that computes rotamer pair energies at most once
C++: core::pack::task::PackerTask::or_lazy_ig(bool) –> void
- or_linmem_ig(self: pyrosetta.rosetta.core.pack.task.PackerTask, setting: bool) None ¶
- Activate a LinearMemoryInteraction graph that uses 95% less memory in design runs
and runs twice as fast. (Not faster for fixed-sequence repackings).
C++: core::pack::task::PackerTask::or_linmem_ig(bool) –> void
- or_multi_cool_annealer(self: pyrosetta.rosetta.core.pack.task.PackerTask, setting: bool) None ¶
C++: core::pack::task::PackerTask::or_multi_cool_annealer(bool) –> void
- or_optimize_h_mode(self: pyrosetta.rosetta.core.pack.task.PackerTask, setting: bool) None ¶
C++: core::pack::task::PackerTask::or_optimize_h_mode(bool) –> void
- or_precompute_ig(self: pyrosetta.rosetta.core.pack.task.PackerTask, setting: bool) None ¶
Explicitly request the O( N^2 ) precomputed graph
linmem_ig() is checked first and will override this setting
C++: core::pack::task::PackerTask::or_precompute_ig(bool) –> void
- or_preserve_c_beta(self: pyrosetta.rosetta.core.pack.task.PackerTask, setting: bool) None ¶
C++: core::pack::task::PackerTask::or_preserve_c_beta(bool) –> void
- pack_residue(self: pyrosetta.rosetta.core.pack.task.PackerTask, resid: int) bool ¶
C++: core::pack::task::PackerTask::pack_residue(int) const –> bool
- precompute_ig(self: pyrosetta.rosetta.core.pack.task.PackerTask) bool ¶
C++: core::pack::task::PackerTask::precompute_ig() const –> bool
- remap_residue_level_tasks(self: pyrosetta.rosetta.core.pack.task.PackerTask, seqmap: pyrosetta.rosetta.core.id.SequenceMapping, pose: pyrosetta.rosetta.core.pose.Pose) None ¶
C++: core::pack::task::PackerTask::remap_residue_level_tasks(class std::shared_ptr<const class core::id::SequenceMapping>, const class core::pose::Pose &) –> void
- repacking_residues(self: pyrosetta.rosetta.core.pack.task.PackerTask) pyrosetta.rosetta.utility.vector1_bool ¶
C++: core::pack::task::PackerTask::repacking_residues() const –> class utility::vector1<bool, class std::allocator<bool> >
- request_symmetrize_by_intersection(self: pyrosetta.rosetta.core.pack.task.PackerTask) None ¶
C++: core::pack::task::PackerTask::request_symmetrize_by_intersection() –> void
- request_symmetrize_by_union(self: pyrosetta.rosetta.core.pack.task.PackerTask) None ¶
C++: core::pack::task::PackerTask::request_symmetrize_by_union() –> void
- residue_task(self: pyrosetta.rosetta.core.pack.task.PackerTask, resid: int) core::pack::task::ResidueLevelTask ¶
C++: core::pack::task::PackerTask::residue_task(unsigned long) const –> const class core::pack::task::ResidueLevelTask &
- restrict_to_repacking(self: pyrosetta.rosetta.core.pack.task.PackerTask) pyrosetta.rosetta.core.pack.task.PackerTask ¶
C++: core::pack::task::PackerTask::restrict_to_repacking() –> class core::pack::task::PackerTask &
- restrict_to_residues(self: pyrosetta.rosetta.core.pack.task.PackerTask, residues_allowed_to_be_packed: pyrosetta.rosetta.utility.vector1_bool) pyrosetta.rosetta.core.pack.task.PackerTask ¶
C++: core::pack::task::PackerTask::restrict_to_residues(const class utility::vector1<bool, class std::allocator<bool> > &) –> class core::pack::task::PackerTask &
- rotamer_couplings(*args, **kwargs)¶
Overloaded function.
rotamer_couplings(self: pyrosetta.rosetta.core.pack.task.PackerTask) -> core::pack::rotamer_set::RotamerCouplings
C++: core::pack::task::PackerTask::rotamer_couplings() const –> class std::shared_ptr<const class core::pack::rotamer_set::RotamerCouplings>
rotamer_couplings(self: pyrosetta.rosetta.core.pack.task.PackerTask, setting: core::pack::rotamer_set::RotamerCouplings) -> None
C++: core::pack::task::PackerTask::rotamer_couplings(class std::shared_ptr<const class core::pack::rotamer_set::RotamerCouplings>) –> void
- rotamer_couplings_exist(self: pyrosetta.rosetta.core.pack.task.PackerTask) bool ¶
C++: core::pack::task::PackerTask::rotamer_couplings_exist() const –> bool
- rotamer_links(*args, **kwargs)¶
Overloaded function.
rotamer_links(self: pyrosetta.rosetta.core.pack.task.PackerTask) -> core::pack::rotamer_set::RotamerLinks
C++: core::pack::task::PackerTask::rotamer_links() const –> class std::shared_ptr<const class core::pack::rotamer_set::RotamerLinks>
rotamer_links(self: pyrosetta.rosetta.core.pack.task.PackerTask, setting: core::pack::rotamer_set::RotamerLinks) -> None
C++: core::pack::task::PackerTask::rotamer_links(class std::shared_ptr<const class core::pack::rotamer_set::RotamerLinks>) –> void
- rotamer_links_exist(self: pyrosetta.rosetta.core.pack.task.PackerTask) bool ¶
C++: core::pack::task::PackerTask::rotamer_links_exist() const –> bool
- rotamer_prob_buried(*args, **kwargs)¶
Overloaded function.
rotamer_prob_buried(self: pyrosetta.rosetta.core.pack.task.PackerTask) -> float
C++: core::pack::task::PackerTask::rotamer_prob_buried() const –> double
rotamer_prob_buried(self: pyrosetta.rosetta.core.pack.task.PackerTask, : float) -> None
C++: core::pack::task::PackerTask::rotamer_prob_buried(double) –> void
- rotamer_prob_buried_semi(*args, **kwargs)¶
Overloaded function.
rotamer_prob_buried_semi(self: pyrosetta.rosetta.core.pack.task.PackerTask) -> float
C++: core::pack::task::PackerTask::rotamer_prob_buried_semi() const –> double
rotamer_prob_buried_semi(self: pyrosetta.rosetta.core.pack.task.PackerTask, : float) -> None
C++: core::pack::task::PackerTask::rotamer_prob_buried_semi(double) –> void
- rotamer_prob_nonburied(*args, **kwargs)¶
Overloaded function.
rotamer_prob_nonburied(self: pyrosetta.rosetta.core.pack.task.PackerTask) -> float
C++: core::pack::task::PackerTask::rotamer_prob_nonburied() const –> double
rotamer_prob_nonburied(self: pyrosetta.rosetta.core.pack.task.PackerTask, : float) -> None
C++: core::pack::task::PackerTask::rotamer_prob_nonburied(double) –> void
- rotamer_prob_nonburied_semi(*args, **kwargs)¶
Overloaded function.
rotamer_prob_nonburied_semi(self: pyrosetta.rosetta.core.pack.task.PackerTask) -> float
C++: core::pack::task::PackerTask::rotamer_prob_nonburied_semi() const –> double
rotamer_prob_nonburied_semi(self: pyrosetta.rosetta.core.pack.task.PackerTask, : float) -> None
C++: core::pack::task::PackerTask::rotamer_prob_nonburied_semi(double) –> void
- sequence_symmetric_uid_prefix(*args, **kwargs)¶
Overloaded function.
sequence_symmetric_uid_prefix(self: pyrosetta.rosetta.core.pack.task.PackerTask) -> str
C++: core::pack::task::PackerTask::sequence_symmetric_uid_prefix() const –> std::string
sequence_symmetric_uid_prefix(self: pyrosetta.rosetta.core.pack.task.PackerTask, prefix: str) -> None
C++: core::pack::task::PackerTask::sequence_symmetric_uid_prefix(const std::string &) –> void
- set_IGEdgeReweights(self: pyrosetta.rosetta.core.pack.task.PackerTask) core::pack::task::IGEdgeReweightContainer ¶
C++: core::pack::task::PackerTask::set_IGEdgeReweights() –> class std::shared_ptr<class core::pack::task::IGEdgeReweightContainer>
- set_bump_check(self: pyrosetta.rosetta.core.pack.task.PackerTask, setting: bool) None ¶
C++: core::pack::task::PackerTask::set_bump_check(bool) –> void
- set_smart_annealer(self: pyrosetta.rosetta.core.pack.task.PackerTask, setting: bool) None ¶
C++: core::pack::task::PackerTask::set_smart_annealer(bool) –> void
- set_smart_annealer_cutoff(self: pyrosetta.rosetta.core.pack.task.PackerTask, setting: float) None ¶
C++: core::pack::task::PackerTask::set_smart_annealer_cutoff(double) –> void
- set_smart_annealer_disable_during_quench(self: pyrosetta.rosetta.core.pack.task.PackerTask, setting: bool) None ¶
C++: core::pack::task::PackerTask::set_smart_annealer_disable_during_quench(bool) –> void
- set_smart_annealer_model(self: pyrosetta.rosetta.core.pack.task.PackerTask, setting: str) None ¶
C++: core::pack::task::PackerTask::set_smart_annealer_model(const std::string &) –> void
- set_smart_annealer_pick_again(self: pyrosetta.rosetta.core.pack.task.PackerTask, setting: bool) None ¶
C++: core::pack::task::PackerTask::set_smart_annealer_pick_again(bool) –> void
- show(*args, **kwargs)¶
Overloaded function.
show(self: pyrosetta.rosetta.core.pack.task.PackerTask, out: pyrosetta.rosetta.std.ostream) -> None
C++: core::pack::task::PackerTask::show(std::ostream &) const –> void
show(self: pyrosetta.rosetta.core.pack.task.PackerTask) -> None
C++: core::pack::task::PackerTask::show() const –> void
- show_all_residue_tasks(*args, **kwargs)¶
Overloaded function.
show_all_residue_tasks(self: pyrosetta.rosetta.core.pack.task.PackerTask, out: pyrosetta.rosetta.std.ostream) -> None
C++: core::pack::task::PackerTask::show_all_residue_tasks(std::ostream &) const –> void
show_all_residue_tasks(self: pyrosetta.rosetta.core.pack.task.PackerTask) -> None
C++: core::pack::task::PackerTask::show_all_residue_tasks() const –> void
- show_residue_task(*args, **kwargs)¶
Overloaded function.
show_residue_task(self: pyrosetta.rosetta.core.pack.task.PackerTask, out: pyrosetta.rosetta.std.ostream, resid: int) -> None
C++: core::pack::task::PackerTask::show_residue_task(std::ostream &, unsigned long) const –> void
show_residue_task(self: pyrosetta.rosetta.core.pack.task.PackerTask, resid: int) -> None
C++: core::pack::task::PackerTask::show_residue_task(unsigned long) const –> void
- smart_annealer(self: pyrosetta.rosetta.core.pack.task.PackerTask) bool ¶
C++: core::pack::task::PackerTask::smart_annealer() const –> bool
- smart_annealer_cutoff(self: pyrosetta.rosetta.core.pack.task.PackerTask) float ¶
C++: core::pack::task::PackerTask::smart_annealer_cutoff() const –> double
- smart_annealer_disable_during_quench(self: pyrosetta.rosetta.core.pack.task.PackerTask) bool ¶
C++: core::pack::task::PackerTask::smart_annealer_disable_during_quench() const –> bool
- smart_annealer_model(self: pyrosetta.rosetta.core.pack.task.PackerTask) str ¶
C++: core::pack::task::PackerTask::smart_annealer_model() const –> std::string
- smart_annealer_pick_again(self: pyrosetta.rosetta.core.pack.task.PackerTask) bool ¶
C++: core::pack::task::PackerTask::smart_annealer_pick_again() const –> bool
- symmetrize_by_intersection(self: pyrosetta.rosetta.core.pack.task.PackerTask) bool ¶
C++: core::pack::task::PackerTask::symmetrize_by_intersection() const –> bool
- symmetrize_by_union(self: pyrosetta.rosetta.core.pack.task.PackerTask) bool ¶
C++: core::pack::task::PackerTask::symmetrize_by_union() const –> bool
- task_string(self: pyrosetta.rosetta.core.pack.task.PackerTask, pose: pyrosetta.rosetta.core.pose.Pose) str ¶
C++: core::pack::task::PackerTask::task_string(const class core::pose::Pose &) const –> std::string
- temporarily_fix_everything(self: pyrosetta.rosetta.core.pack.task.PackerTask) None ¶
C++: core::pack::task::PackerTask::temporarily_fix_everything() –> void
- temporarily_set_pack_residue(self: pyrosetta.rosetta.core.pack.task.PackerTask, resid: int, setting: bool) None ¶
C++: core::pack::task::PackerTask::temporarily_set_pack_residue(int, bool) –> void
- total_residue(self: pyrosetta.rosetta.core.pack.task.PackerTask) int ¶
C++: core::pack::task::PackerTask::total_residue() const –> unsigned long
- update_commutative(self: pyrosetta.rosetta.core.pack.task.PackerTask, to_copy: pyrosetta.rosetta.core.pack.task.PackerTask) None ¶
C++: core::pack::task::PackerTask::update_commutative(const class core::pack::task::PackerTask &) –> void
- class pyrosetta.rosetta.core.pack.task.PackerTaskSymmetryStatus¶
Bases:
pybind11_object
Members:
NO_SYMMETRIZATION_REQUEST
REQUEST_SYMMETRIZE_BY_UNION
REQUEST_SYMMETRIZE_BY_INTERSECTION
ALREADY_SYMMETRIZED
- ALREADY_SYMMETRIZED = <PackerTaskSymmetryStatus.ALREADY_SYMMETRIZED: 3>¶
- NO_SYMMETRIZATION_REQUEST = <PackerTaskSymmetryStatus.NO_SYMMETRIZATION_REQUEST: 0>¶
- REQUEST_SYMMETRIZE_BY_INTERSECTION = <PackerTaskSymmetryStatus.REQUEST_SYMMETRIZE_BY_INTERSECTION: 2>¶
- REQUEST_SYMMETRIZE_BY_UNION = <PackerTaskSymmetryStatus.REQUEST_SYMMETRIZE_BY_UNION: 1>¶
- property name¶
- property value¶
- class pyrosetta.rosetta.core.pack.task.PackerTask_¶
Bases:
PackerTask
the PackerTask controls what rotameric (including sequence) changes the packer is allowed to make
- IGEdgeReweights(self: pyrosetta.rosetta.core.pack.task.PackerTask_) pyrosetta.rosetta.core.pack.task.IGEdgeReweightContainer ¶
accesor for residue residue weight map
C++: core::pack::task::PackerTask_::IGEdgeReweights() const –> class std::shared_ptr<const class core::pack::task::IGEdgeReweightContainer>
- add_behavior(*args, **kwargs)¶
Overloaded function.
add_behavior(self: pyrosetta.rosetta.core.pack.task.PackerTask_, behavior: str) -> None
C++: core::pack::task::PackerTask_::add_behavior(const std::string &) –> void
add_behavior(self: pyrosetta.rosetta.core.pack.task.PackerTask_, behavior: str, resid: int) -> None
C++: core::pack::task::PackerTask_::add_behavior(const std::string &, unsigned long) –> void
- adducts(self: pyrosetta.rosetta.core.pack.task.PackerTask_, resid: int) bool ¶
include adducts at this residue
C++: core::pack::task::PackerTask_::adducts(unsigned long) const –> bool
- and_linmem_ig(self: pyrosetta.rosetta.core.pack.task.PackerTask_, setting: bool) None ¶
if setting == false, turns off linear-memory interaction graph usage
C++: core::pack::task::PackerTask_::and_linmem_ig(bool) –> void
- and_max_rotbump_energy(self: pyrosetta.rosetta.core.pack.task.PackerTask_, setting: float) None ¶
Decrease the max_rotbump_energy threshold above which rotamers are rejected.
C++: core::pack::task::PackerTask_::and_max_rotbump_energy(double) –> void
- append_rotamer_operation(self: pyrosetta.rosetta.core.pack.task.PackerTask_, rotop: pyrosetta.rosetta.core.pack.rotamer_set.RotamerOperation) None ¶
C++: core::pack::task::PackerTask_::append_rotamer_operation(class std::shared_ptr<class core::pack::rotamer_set::RotamerOperation>) –> void
- append_rotamerset_operation(self: pyrosetta.rosetta.core.pack.task.PackerTask_, rotsetop: pyrosetta.rosetta.core.pack.rotamer_set.RotamerSetOperation) None ¶
C++: core::pack::task::PackerTask_::append_rotamerset_operation(class std::shared_ptr<class core::pack::rotamer_set::RotamerSetOperation>) –> void
- append_rotamersets_operation(self: pyrosetta.rosetta.core.pack.task.PackerTask_, rotsetsop: pyrosetta.rosetta.core.pack.rotamer_set.RotamerSetsOperation) None ¶
C++: core::pack::task::PackerTask_::append_rotamersets_operation(class std::shared_ptr<class core::pack::rotamer_set::RotamerSetsOperation>) –> void
- assign(self: pyrosetta.rosetta.core.pack.task.PackerTask_, : pyrosetta.rosetta.core.pack.task.PackerTask_) pyrosetta.rosetta.core.pack.task.PackerTask_ ¶
C++: core::pack::task::PackerTask_::operator=(const class core::pack::task::PackerTask_ &) –> class core::pack::task::PackerTask_ &
- being_designed(self: pyrosetta.rosetta.core.pack.task.PackerTask_, resid: int) bool ¶
alias for above
C++: core::pack::task::PackerTask_::being_designed(unsigned long) const –> bool
- being_packed(self: pyrosetta.rosetta.core.pack.task.PackerTask_, resid: int) bool ¶
alias for above
C++: core::pack::task::PackerTask_::being_packed(unsigned long) const –> bool
- bump_check(self: pyrosetta.rosetta.core.pack.task.PackerTask_) bool ¶
get function: has bump_check been requested?
C++: core::pack::task::PackerTask_::bump_check() const –> bool
- check_threads(self: pyrosetta.rosetta.core.pack.task.PackerTask_) None ¶
Check that the number of threads to request is reasonable.
Does nothing in multithreaded build. In single-threaded build, checks that number of threads to request is 0 (use all available, which is 1) or 1.
C++: core::pack::task::PackerTask_::check_threads() const –> void
- clean_residue_task(self: pyrosetta.rosetta.core.pack.task.PackerTask_, original_residue: pyrosetta.rosetta.core.conformation.Residue, seqpos: int, pose: pyrosetta.rosetta.core.pose.Pose) None ¶
replace a given residue task with a brand new one NOTE: This should be the only way to break commutativity!!!!
C++: core::pack::task::PackerTask_::clean_residue_task(const class core::conformation::Residue &, const unsigned long, const class core::pose::Pose &) –> void
- clone(self: pyrosetta.rosetta.core.pack.task.PackerTask_) pyrosetta.rosetta.core.pack.task.PackerTask ¶
copy method
C++: core::pack::task::PackerTask_::clone() const –> class std::shared_ptr<class core::pack::task::PackerTask>
- decrease_double_lazy_ig_memlimit(self: pyrosetta.rosetta.core.pack.task.PackerTask_, nbytes_for_rpes: int) None ¶
- Set the memory limit, in bytes, for the storage that the DLIG should be allowed
to spend on representing rotamer pair energies. The DLIG will start deallocating rotamer pair energy blocks if it exceeds this limit. This limit is occasionally breached by as much memory as is required to store a single amino-acid-pair submatrix block; the limit does not apply to the entirety of the packer or even the entirety of this interaction graph, merely to the amount of space for rotamer pair energies. Remember, rotamers are expensive, too! The default value of “0” signifies an unrestricted memory limit – 0 may not be set through this function. The value may increase once from 0 and then may only decrease from there.
C++: core::pack::task::PackerTask_::decrease_double_lazy_ig_memlimit(unsigned long) –> void
- decrease_linmem_ig_history_size(self: pyrosetta.rosetta.core.pack.task.PackerTask_, setting: int) None ¶
- Set the linear memory interaction graph’s recent history size. Default is 10. It can be set
once to any value larger than 10, but any subsequent setting will only alter the size if it decreases it.
C++: core::pack::task::PackerTask_::decrease_linmem_ig_history_size(unsigned long) –> void
- design_any(self: pyrosetta.rosetta.core.pack.task.PackerTask_) bool ¶
get function: can any positions have a sequence change?
C++: core::pack::task::PackerTask_::design_any() const –> bool
- design_residue(self: pyrosetta.rosetta.core.pack.task.PackerTask_, resid: int) bool ¶
get function: can this position have a sequence change?
C++: core::pack::task::PackerTask_::design_residue(int) const –> bool
- designing_residues(self: pyrosetta.rosetta.core.pack.task.PackerTask_) pyrosetta.rosetta.utility.vector1_bool ¶
C++: core::pack::task::PackerTask_::designing_residues() const –> class utility::vector1<bool, class std::allocator<bool> >
- disallow_quench(*args, **kwargs)¶
Overloaded function.
disallow_quench(self: pyrosetta.rosetta.core.pack.task.PackerTask_, disallow_quench: bool) -> None
C++: core::pack::task::PackerTask_::disallow_quench(const bool &) –> void
disallow_quench(self: pyrosetta.rosetta.core.pack.task.PackerTask_) -> bool
C++: core::pack::task::PackerTask_::disallow_quench() const –> bool
- double_lazy_ig(self: pyrosetta.rosetta.core.pack.task.PackerTask_) bool ¶
Returns the double-lazy interaction graph flag
C++: core::pack::task::PackerTask_::double_lazy_ig() const –> bool
- double_lazy_ig_memlimit(self: pyrosetta.rosetta.core.pack.task.PackerTask_) int ¶
- the memory limit, in bytes, for the double-lazy interaction graph. A value of 0
signifies an unrestricted limit.
C++: core::pack::task::PackerTask_::double_lazy_ig_memlimit() const –> unsigned long
- get_self_ptr(self: pyrosetta.rosetta.core.pack.task.PackerTask) pyrosetta.rosetta.core.pack.task.PackerTask ¶
C++: core::pack::task::PackerTask::get_self_ptr() –> class std::shared_ptr<class core::pack::task::PackerTask>
- has_behavior(*args, **kwargs)¶
Overloaded function.
has_behavior(self: pyrosetta.rosetta.core.pack.task.PackerTask_, behavior: str, resid: int) -> bool
C++: core::pack::task::PackerTask_::has_behavior(const std::string &, unsigned long) const –> bool
has_behavior(self: pyrosetta.rosetta.core.pack.task.PackerTask_, resid: int) -> bool
C++: core::pack::task::PackerTask_::has_behavior(unsigned long) const –> bool
- high_temp(*args, **kwargs)¶
Overloaded function.
high_temp(self: pyrosetta.rosetta.core.pack.task.PackerTask_, high_temp: float) -> None
C++: core::pack::task::PackerTask_::high_temp(const double &) –> void
high_temp(self: pyrosetta.rosetta.core.pack.task.PackerTask_) -> float
C++: core::pack::task::PackerTask_::high_temp() const –> double
- ig_threads_to_request(self: pyrosetta.rosetta.core.pack.task.PackerTask_) int ¶
How many threads should the packer request for interaction graph precomputation?
Must be implemented by derived class.
Vikram K. Mulligan (vmulligan.org).
C++: core::pack::task::PackerTask_::ig_threads_to_request() const –> unsigned long
- include_current(self: pyrosetta.rosetta.core.pack.task.PackerTask_, resid: int) bool ¶
get function: what is include_current for this residue?
C++: core::pack::task::PackerTask_::include_current(unsigned long) const –> bool
- increase_multi_cool_annealer_history_size(self: pyrosetta.rosetta.core.pack.task.PackerTask_, setting: int) None ¶
Increases the history size for the MultiCoolAnnealer if setting is larger than the existing setting.
C++: core::pack::task::PackerTask_::increase_multi_cool_annealer_history_size(unsigned long) –> void
- init(self: pyrosetta.rosetta.core.pack.task.PackerTask_) None ¶
Do some common initialization routines.
C++: core::pack::task::PackerTask_::init() –> void
- initialize_extra_rotamer_flags_from_command_line(self: pyrosetta.rosetta.core.pack.task.PackerTask_) pyrosetta.rosetta.core.pack.task.PackerTask ¶
read only the command line options for extra rotamer building;
C++: core::pack::task::PackerTask_::initialize_extra_rotamer_flags_from_command_line() –> class core::pack::task::PackerTask &
- initialize_extra_rotamer_flags_from_options(self: pyrosetta.rosetta.core.pack.task.PackerTask_, options: pyrosetta.rosetta.utility.options.OptionCollection) pyrosetta.rosetta.core.pack.task.PackerTask ¶
C++: core::pack::task::PackerTask_::initialize_extra_rotamer_flags_from_options(const class utility::options::OptionCollection &) –> class core::pack::task::PackerTask &
- initialize_from_command_line(self: pyrosetta.rosetta.core.pack.task.PackerTask_) pyrosetta.rosetta.core.pack.task.PackerTask ¶
read command line options (but not resfile) to set the state of the PackerTask, NOT IN CONSTRUCTOR
C++: core::pack::task::PackerTask_::initialize_from_command_line() –> class core::pack::task::PackerTask &
- initialize_from_options(self: pyrosetta.rosetta.core.pack.task.PackerTask_, options: pyrosetta.rosetta.utility.options.OptionCollection) pyrosetta.rosetta.core.pack.task.PackerTask ¶
C++: core::pack::task::PackerTask_::initialize_from_options(const class utility::options::OptionCollection &) –> class core::pack::task::PackerTask &
- is_initialized(self: pyrosetta.rosetta.core.pack.task.PackerTask_) bool ¶
Has this PackerTask been initialized with a PackerPalette?
PackerTasks must be initialized with PackerPalettes before being modified with TaskOperations. The TaskFactory will initialize the PackerTask with a DefaultPackerPalette if no custom PackerPalette is provided.
Vikram K. Mulligan (vmullig.edu).
C++: core::pack::task::PackerTask_::is_initialized() const –> bool
- keep_sequence_symmetry(*args, **kwargs)¶
Overloaded function.
keep_sequence_symmetry(self: pyrosetta.rosetta.core.pack.task.PackerTask_) -> bool
C++: core::pack::task::PackerTask_::keep_sequence_symmetry() const –> bool
keep_sequence_symmetry(self: pyrosetta.rosetta.core.pack.task.PackerTask_, setting: bool) -> None
Enables SequenceSymmetricAnnealer
C++: core::pack::task::PackerTask_::keep_sequence_symmetry(const bool) –> void
- lazy_ig(self: pyrosetta.rosetta.core.pack.task.PackerTask_) bool ¶
returns the lazy interaction interaction graph flag
C++: core::pack::task::PackerTask_::lazy_ig() const –> bool
- limit_ig_setup_threads(self: pyrosetta.rosetta.core.pack.task.PackerTask_, setting: int) None ¶
Limit the interaction graph setup threads.
If the current ig_threads_to_request_ is zero, setting replaces it. If setting is zero, this does nothing. Otherwise, setting replaces ig_threads_to_request_ if and only if it is less than ig_threads_to_request_. This preserves commutativity.
Vikram K. Mulligan (vmulligan.org)
C++: core::pack::task::PackerTask_::limit_ig_setup_threads(const unsigned long) –> void
- linmem_ig(self: pyrosetta.rosetta.core.pack.task.PackerTask_) bool ¶
returns the linear-memory interaction graph flag
C++: core::pack::task::PackerTask_::linmem_ig() const –> bool
- linmem_ig_history_size(self: pyrosetta.rosetta.core.pack.task.PackerTask_) int ¶
Return the linear memory interaction graph’s recent history size.
C++: core::pack::task::PackerTask_::linmem_ig_history_size() const –> unsigned long
- static list_options_read(read_options: pyrosetta.rosetta.std.list_utility_keys_VariantKey_utility_options_OptionKey_t) None ¶
C++: core::pack::task::PackerTask::list_options_read(class std::list<class utility::keys::VariantKey<class utility::options::OptionKey>, class std::allocator<class utility::keys::VariantKey<class utility::options::OptionKey> > > &) –> void
- low_temp(*args, **kwargs)¶
Overloaded function.
low_temp(self: pyrosetta.rosetta.core.pack.task.PackerTask_, low_temp: float) -> None
C++: core::pack::task::PackerTask_::low_temp(const double &) –> void
low_temp(self: pyrosetta.rosetta.core.pack.task.PackerTask_) -> float
C++: core::pack::task::PackerTask_::low_temp() const –> double
- max_rotbump_energy(self: pyrosetta.rosetta.core.pack.task.PackerTask_) float ¶
get function: what is the energy threshold above which rotamers should be rejected
C++: core::pack::task::PackerTask_::max_rotbump_energy() const –> double
- multi_cool_annealer(self: pyrosetta.rosetta.core.pack.task.PackerTask_) bool ¶
use MultiCoolAnnealer?
C++: core::pack::task::PackerTask_::multi_cool_annealer() const –> bool
- multi_cool_annealer_history_size(self: pyrosetta.rosetta.core.pack.task.PackerTask_) int ¶
returns the requested size for the MultiCoolAnnealer
C++: core::pack::task::PackerTask_::multi_cool_annealer_history_size() const –> unsigned long
- nonconst_residue_task(self: pyrosetta.rosetta.core.pack.task.PackerTask_, resid: int) pyrosetta.rosetta.core.pack.task.ResidueLevelTask ¶
nonconst access to underlying ResidueLevelTask object
C++: core::pack::task::PackerTask_::nonconst_residue_task(unsigned long) –> class core::pack::task::ResidueLevelTask &
- num_to_be_packed(self: pyrosetta.rosetta.core.pack.task.PackerTask_) int ¶
get function: how many positions can have rotamer changes?
C++: core::pack::task::PackerTask_::num_to_be_packed() const –> unsigned long
- or_adducts(*args, **kwargs)¶
Overloaded function.
or_adducts(self: pyrosetta.rosetta.core.pack.task.PackerTask_, setting: bool) -> None
for all positions, disable adducts if false, do nothing if true
C++: core::pack::task::PackerTask_::or_adducts(bool) –> void
or_adducts(self: pyrosetta.rosetta.core.pack.task.PackerTask_, setting: bool, resid: int) -> None
for one position, disable adducts if false, do nothing if true
C++: core::pack::task::PackerTask_::or_adducts(bool, unsigned long) –> void
- or_double_lazy_ig(self: pyrosetta.rosetta.core.pack.task.PackerTask_, setting: bool) None ¶
- Activate the DoubleLazyInteractionGraph, which is particularly useful
for multistate design, when memory and time are both limiting. Overriden by LinMemIG.
C++: core::pack::task::PackerTask_::or_double_lazy_ig(bool) –> void
- or_fix_his_tautomer(self: pyrosetta.rosetta.core.pack.task.PackerTask_, positions: pyrosetta.rosetta.utility.vector1_int, setting: bool) None ¶
if setting == true, fix his tautomer state for defined residues during repacking or optimizeH mode
C++: core::pack::task::PackerTask_::or_fix_his_tautomer(const class utility::vector1<int, class std::allocator<int> > &, bool) –> void
- or_flip_HNQ(self: pyrosetta.rosetta.core.pack.task.PackerTask_, setting: bool) None ¶
if setting == true, turns on optimize_H_mode and flip_HNQ for all residues
C++: core::pack::task::PackerTask_::or_flip_HNQ(bool) –> void
- or_include_current(*args, **kwargs)¶
Overloaded function.
or_include_current(self: pyrosetta.rosetta.core.pack.task.PackerTask_, setting: bool) -> None
for all positions, turn on include_current if false, do nothing if already true
C++: core::pack::task::PackerTask_::or_include_current(bool) –> void
or_include_current(self: pyrosetta.rosetta.core.pack.task.PackerTask_, setting: bool, resid: int) -> None
for one position, turn on include_current if false, do nothing if already true
C++: core::pack::task::PackerTask_::or_include_current(bool, unsigned long) –> void
- or_lazy_ig(self: pyrosetta.rosetta.core.pack.task.PackerTask_, setting: bool) None ¶
- if setting == true, turns on lazy interaction graph usage
NOTE: the linear memory interaction graph takes precedence over the LazyIG when the InteractionGraphFactory examines the PackerTask.
C++: core::pack::task::PackerTask_::or_lazy_ig(bool) –> void
- or_linmem_ig(self: pyrosetta.rosetta.core.pack.task.PackerTask_, setting: bool) None ¶
if setting == true, turns on linear-memory interaction graph usage
C++: core::pack::task::PackerTask_::or_linmem_ig(bool) –> void
- or_multi_cool_annealer(self: pyrosetta.rosetta.core.pack.task.PackerTask_, setting: bool) None ¶
if setting == true, turns on MultiCoolAnnealer – so long as rotamer couplings are not also turned on.
C++: core::pack::task::PackerTask_::or_multi_cool_annealer(bool) –> void
- or_optimize_h_mode(self: pyrosetta.rosetta.core.pack.task.PackerTask_, setting: bool) None ¶
if setting == true, turns on optimize_H_mode for all residues
C++: core::pack::task::PackerTask_::or_optimize_h_mode(bool) –> void
- or_precompute_ig(self: pyrosetta.rosetta.core.pack.task.PackerTask_, setting: bool) None ¶
C++: core::pack::task::PackerTask_::or_precompute_ig(bool) –> void
- or_preserve_c_beta(self: pyrosetta.rosetta.core.pack.task.PackerTask_, setting: bool) None ¶
if setting == true, preserves c-beta during rotamer building for all residues
C++: core::pack::task::PackerTask_::or_preserve_c_beta(bool) –> void
- pack_residue(self: pyrosetta.rosetta.core.pack.task.PackerTask_, resid: int) bool ¶
get function: can this position have a rotamer change?
C++: core::pack::task::PackerTask_::pack_residue(int) const –> bool
- precompute_ig(self: pyrosetta.rosetta.core.pack.task.PackerTask_) bool ¶
C++: core::pack::task::PackerTask_::precompute_ig() const –> bool
- remap_residue_level_tasks(self: pyrosetta.rosetta.core.pack.task.PackerTask_, seqmap: pyrosetta.rosetta.core.id.SequenceMapping, pose: pyrosetta.rosetta.core.pose.Pose) None ¶
C++: core::pack::task::PackerTask_::remap_residue_level_tasks(class std::shared_ptr<const class core::id::SequenceMapping>, const class core::pose::Pose &) –> void
- repacking_residues(self: pyrosetta.rosetta.core.pack.task.PackerTask_) pyrosetta.rosetta.utility.vector1_bool ¶
C++: core::pack::task::PackerTask_::repacking_residues() const –> class utility::vector1<bool, class std::allocator<bool> >
- request_symmetrize_by_intersection(self: pyrosetta.rosetta.core.pack.task.PackerTask_) None ¶
C++: core::pack::task::PackerTask_::request_symmetrize_by_intersection() –> void
- request_symmetrize_by_union(self: pyrosetta.rosetta.core.pack.task.PackerTask_) None ¶
C++: core::pack::task::PackerTask_::request_symmetrize_by_union() –> void
- residue_task(self: pyrosetta.rosetta.core.pack.task.PackerTask_, resid: int) pyrosetta.rosetta.core.pack.task.ResidueLevelTask ¶
const accessor for underlying ResidueLevelTask object
C++: core::pack::task::PackerTask_::residue_task(unsigned long) const –> const class core::pack::task::ResidueLevelTask &
- restrict_to_repacking(self: pyrosetta.rosetta.core.pack.task.PackerTask_) pyrosetta.rosetta.core.pack.task.PackerTask ¶
turn off designing (sequence changing) all residues
C++: core::pack::task::PackerTask_::restrict_to_repacking() –> class core::pack::task::PackerTask &
- restrict_to_residues(self: pyrosetta.rosetta.core.pack.task.PackerTask_, residues_allowed_to_be_packed: pyrosetta.rosetta.utility.vector1_bool) pyrosetta.rosetta.core.pack.task.PackerTask ¶
turn off packing for residues passed false; can’t turn on packing
C++: core::pack::task::PackerTask_::restrict_to_residues(const class utility::vector1<bool, class std::allocator<bool> > &) –> class core::pack::task::PackerTask &
- rotamer_couplings(*args, **kwargs)¶
Overloaded function.
rotamer_couplings(self: pyrosetta.rosetta.core.pack.task.PackerTask_) -> pyrosetta.rosetta.core.pack.rotamer_set.RotamerCouplings
const accessor for the RotamerCouplings object
C++: core::pack::task::PackerTask_::rotamer_couplings() const –> class std::shared_ptr<const class core::pack::rotamer_set::RotamerCouplings>
rotamer_couplings(self: pyrosetta.rosetta.core.pack.task.PackerTask_, setting: pyrosetta.rosetta.core.pack.rotamer_set.RotamerCouplings) -> None
setter for the RotamerCouplings object
C++: core::pack::task::PackerTask_::rotamer_couplings(class std::shared_ptr<const class core::pack::rotamer_set::RotamerCouplings>) –> void
- rotamer_couplings_exist(self: pyrosetta.rosetta.core.pack.task.PackerTask_) bool ¶
is there at RotamerCouplings object to worry about? (for DNA GC AT pairing, etc)
C++: core::pack::task::PackerTask_::rotamer_couplings_exist() const –> bool
- rotamer_links(*args, **kwargs)¶
Overloaded function.
rotamer_links(self: pyrosetta.rosetta.core.pack.task.PackerTask_) -> pyrosetta.rosetta.core.pack.rotamer_set.RotamerLinks
const accessor for the RotamerLinks object
C++: core::pack::task::PackerTask_::rotamer_links() const –> class std::shared_ptr<const class core::pack::rotamer_set::RotamerLinks>
rotamer_links(self: pyrosetta.rosetta.core.pack.task.PackerTask_, setting: pyrosetta.rosetta.core.pack.rotamer_set.RotamerLinks) -> None
setter for the RotamerLinks object
C++: core::pack::task::PackerTask_::rotamer_links(class std::shared_ptr<const class core::pack::rotamer_set::RotamerLinks>) –> void
- rotamer_links_exist(self: pyrosetta.rosetta.core.pack.task.PackerTask_) bool ¶
is there at RotamerLinks object to worry about? (for repeat linking
C++: core::pack::task::PackerTask_::rotamer_links_exist() const –> bool
- rotamer_prob_buried(*args, **kwargs)¶
Overloaded function.
rotamer_prob_buried(self: pyrosetta.rosetta.core.pack.task.PackerTask_) -> float
C++: core::pack::task::PackerTask_::rotamer_prob_buried() const –> double
rotamer_prob_buried(self: pyrosetta.rosetta.core.pack.task.PackerTask_, : float) -> None
C++: core::pack::task::PackerTask_::rotamer_prob_buried(double) –> void
- rotamer_prob_buried_semi(*args, **kwargs)¶
Overloaded function.
rotamer_prob_buried_semi(self: pyrosetta.rosetta.core.pack.task.PackerTask_) -> float
C++: core::pack::task::PackerTask_::rotamer_prob_buried_semi() const –> double
rotamer_prob_buried_semi(self: pyrosetta.rosetta.core.pack.task.PackerTask_, : float) -> None
C++: core::pack::task::PackerTask_::rotamer_prob_buried_semi(double) –> void
- rotamer_prob_nonburied(*args, **kwargs)¶
Overloaded function.
rotamer_prob_nonburied(self: pyrosetta.rosetta.core.pack.task.PackerTask_) -> float
C++: core::pack::task::PackerTask_::rotamer_prob_nonburied() const –> double
rotamer_prob_nonburied(self: pyrosetta.rosetta.core.pack.task.PackerTask_, : float) -> None
C++: core::pack::task::PackerTask_::rotamer_prob_nonburied(double) –> void
- rotamer_prob_nonburied_semi(*args, **kwargs)¶
Overloaded function.
rotamer_prob_nonburied_semi(self: pyrosetta.rosetta.core.pack.task.PackerTask_) -> float
C++: core::pack::task::PackerTask_::rotamer_prob_nonburied_semi() const –> double
rotamer_prob_nonburied_semi(self: pyrosetta.rosetta.core.pack.task.PackerTask_, : float) -> None
C++: core::pack::task::PackerTask_::rotamer_prob_nonburied_semi(double) –> void
- sequence_symmetric_uid_prefix(*args, **kwargs)¶
Overloaded function.
sequence_symmetric_uid_prefix(self: pyrosetta.rosetta.core.pack.task.PackerTask_) -> str
C++: core::pack::task::PackerTask_::sequence_symmetric_uid_prefix() const –> std::string
sequence_symmetric_uid_prefix(self: pyrosetta.rosetta.core.pack.task.PackerTask_, prefix: str) -> None
Sets the prefix used when searching for symmetry defining residue selectors in the datacache
C++: core::pack::task::PackerTask_::sequence_symmetric_uid_prefix(const std::string &) –> void
- set_IGEdgeReweights(self: pyrosetta.rosetta.core.pack.task.PackerTask_) pyrosetta.rosetta.core.pack.task.IGEdgeReweightContainer ¶
C++: core::pack::task::PackerTask_::set_IGEdgeReweights() –> class std::shared_ptr<class core::pack::task::IGEdgeReweightContainer>
- set_bump_check(self: pyrosetta.rosetta.core.pack.task.PackerTask_, setting: bool) None ¶
- set function: bump_check is activated for pack-rotamers’ screening of rotamers that
collide with the background. Bump-check is not used during rotamer trials, since it is nearly as expensive as rotamer trials itself. Energy methods may opt in to the bump check process. The “standard” behavior is for bump-check to include only the fa_atr and fa_rep terms.
C++: core::pack::task::PackerTask_::set_bump_check(bool) –> void
- set_smart_annealer(self: pyrosetta.rosetta.core.pack.task.PackerTask_, setting: bool) None ¶
C++: core::pack::task::PackerTask_::set_smart_annealer(bool) –> void
- set_smart_annealer_cutoff(self: pyrosetta.rosetta.core.pack.task.PackerTask_, setting: float) None ¶
C++: core::pack::task::PackerTask_::set_smart_annealer_cutoff(double) –> void
- set_smart_annealer_disable_during_quench(self: pyrosetta.rosetta.core.pack.task.PackerTask_, setting: bool) None ¶
C++: core::pack::task::PackerTask_::set_smart_annealer_disable_during_quench(bool) –> void
- set_smart_annealer_model(self: pyrosetta.rosetta.core.pack.task.PackerTask_, setting: str) None ¶
C++: core::pack::task::PackerTask_::set_smart_annealer_model(const std::string &) –> void
- set_smart_annealer_pick_again(self: pyrosetta.rosetta.core.pack.task.PackerTask_, setting: bool) None ¶
C++: core::pack::task::PackerTask_::set_smart_annealer_pick_again(bool) –> void
- show(*args, **kwargs)¶
Overloaded function.
show(self: pyrosetta.rosetta.core.pack.task.PackerTask_, out: pyrosetta.rosetta.std.ostream) -> None
C++: core::pack::task::PackerTask_::show(std::ostream &) const –> void
show(self: pyrosetta.rosetta.core.pack.task.PackerTask_) -> None
C++: core::pack::task::PackerTask_::show() const –> void
- show_all_residue_tasks(*args, **kwargs)¶
Overloaded function.
show_all_residue_tasks(self: pyrosetta.rosetta.core.pack.task.PackerTask_, out: pyrosetta.rosetta.std.ostream) -> None
C++: core::pack::task::PackerTask_::show_all_residue_tasks(std::ostream &) const –> void
show_all_residue_tasks(self: pyrosetta.rosetta.core.pack.task.PackerTask_) -> None
C++: core::pack::task::PackerTask_::show_all_residue_tasks() const –> void
- show_residue_task(*args, **kwargs)¶
Overloaded function.
show_residue_task(self: pyrosetta.rosetta.core.pack.task.PackerTask_, out: pyrosetta.rosetta.std.ostream, resid: int) -> None
C++: core::pack::task::PackerTask_::show_residue_task(std::ostream &, unsigned long) const –> void
show_residue_task(self: pyrosetta.rosetta.core.pack.task.PackerTask_, resid: int) -> None
C++: core::pack::task::PackerTask_::show_residue_task(unsigned long) const –> void
- smart_annealer(self: pyrosetta.rosetta.core.pack.task.PackerTask_) bool ¶
C++: core::pack::task::PackerTask_::smart_annealer() const –> bool
- smart_annealer_cutoff(self: pyrosetta.rosetta.core.pack.task.PackerTask_) float ¶
C++: core::pack::task::PackerTask_::smart_annealer_cutoff() const –> double
- smart_annealer_disable_during_quench(self: pyrosetta.rosetta.core.pack.task.PackerTask_) bool ¶
C++: core::pack::task::PackerTask_::smart_annealer_disable_during_quench() const –> bool
- smart_annealer_model(self: pyrosetta.rosetta.core.pack.task.PackerTask_) str ¶
C++: core::pack::task::PackerTask_::smart_annealer_model() const –> std::string
- smart_annealer_pick_again(self: pyrosetta.rosetta.core.pack.task.PackerTask_) bool ¶
C++: core::pack::task::PackerTask_::smart_annealer_pick_again() const –> bool
- symmetrize_by_intersection(self: pyrosetta.rosetta.core.pack.task.PackerTask_) bool ¶
C++: core::pack::task::PackerTask_::symmetrize_by_intersection() const –> bool
- symmetrize_by_union(self: pyrosetta.rosetta.core.pack.task.PackerTask_) bool ¶
C++: core::pack::task::PackerTask_::symmetrize_by_union() const –> bool
- target_type(self: pyrosetta.rosetta.core.pack.task.PackerTask_, resid: int) pyrosetta.rosetta.core.chemical.ResidueType ¶
return the targeted type (may be null pointer)
C++: core::pack::task::PackerTask_::target_type(unsigned long) const –> class std::shared_ptr<const class core::chemical::ResidueType>
- task_string(self: pyrosetta.rosetta.core.pack.task.PackerTask_, pose: pyrosetta.rosetta.core.pose.Pose) str ¶
C++: core::pack::task::PackerTask_::task_string(const class core::pose::Pose &) const –> std::string
- temporarily_fix_everything(self: pyrosetta.rosetta.core.pack.task.PackerTask_) None ¶
- turn off packing at all positions
This is only to be used to control packing from within the packing functions rotamer_trials and rtmin. Otherwise, this function should not be used. This function is not commutative and therefor using it outside of rotamer_trials and rtmin would lead to disasterous behaviors
C++: core::pack::task::PackerTask_::temporarily_fix_everything() –> void
- temporarily_set_pack_residue(self: pyrosetta.rosetta.core.pack.task.PackerTask_, resid: int, setting: bool) None ¶
- reset packer mutability arbitrarily for a given residue
This is only to be used to control packing from within the packing functions rotamer_trials and rtmin. Otherwise, this function should not be used. This function is not commutative and therefor using it outside of rotamer_trials and rtmin would lead to disasterous behaviors
C++: core::pack::task::PackerTask_::temporarily_set_pack_residue(int, bool) –> void
- total_residue(self: pyrosetta.rosetta.core.pack.task.PackerTask_) int ¶
number of residues in the input pose, for convienience (PackerTask does not handle variable length)
C++: core::pack::task::PackerTask_::total_residue() const –> unsigned long
- update_commutative(self: pyrosetta.rosetta.core.pack.task.PackerTask_, tark_in: pyrosetta.rosetta.core.pack.task.PackerTask) None ¶
C++: core::pack::task::PackerTask_::update_commutative(const class core::pack::task::PackerTask &) –> void
- update_residue_commutative(self: pyrosetta.rosetta.core.pack.task.PackerTask_, resid: int, res_task_in: pyrosetta.rosetta.core.pack.task.ResidueLevelTask) None ¶
C++: core::pack::task::PackerTask_::update_residue_commutative(unsigned long, const class core::pack::task::ResidueLevelTask &) –> void
- update_residue_intersection(self: pyrosetta.rosetta.core.pack.task.PackerTask_, resid: int, res_task_in: pyrosetta.rosetta.core.pack.task.ResidueLevelTask) None ¶
C++: core::pack::task::PackerTask_::update_residue_intersection(unsigned long, const class core::pack::task::ResidueLevelTask &) –> void
- update_residue_union(self: pyrosetta.rosetta.core.pack.task.PackerTask_, resid: int, res_task_in: pyrosetta.rosetta.core.pack.task.ResidueLevelTask) None ¶
///////////////////// dangerous update functions ///////////////////////
C++: core::pack::task::PackerTask_::update_residue_union(unsigned long, const class core::pack::task::ResidueLevelTask &) –> void
- class pyrosetta.rosetta.core.pack.task.ResfileCommand¶
Bases:
pybind11_object
abstract/interface class for Resfile reader command objects
- assign(self: pyrosetta.rosetta.core.pack.task.ResfileCommand, : pyrosetta.rosetta.core.pack.task.ResfileCommand) pyrosetta.rosetta.core.pack.task.ResfileCommand ¶
C++: core::pack::task::ResfileCommand::operator=(const class core::pack::task::ResfileCommand &) –> class core::pack::task::ResfileCommand &
- clone(self: pyrosetta.rosetta.core.pack.task.ResfileCommand) pyrosetta.rosetta.core.pack.task.ResfileCommand ¶
C++: core::pack::task::ResfileCommand::clone() const –> class std::shared_ptr<class core::pack::task::ResfileCommand>
- get_name(self: pyrosetta.rosetta.core.pack.task.ResfileCommand) str ¶
C++: core::pack::task::ResfileCommand::get_name() –> std::string
- initialize_from_tokens(self: pyrosetta.rosetta.core.pack.task.ResfileCommand, tokens: pyrosetta.rosetta.utility.vector1_std_string, which_token: int, resid: int) None ¶
C++: core::pack::task::ResfileCommand::initialize_from_tokens(const class utility::vector1<std::string, class std::allocator<std::string > > &, unsigned long &, unsigned long) –> void
- residue_action(self: pyrosetta.rosetta.core.pack.task.ResfileCommand, : pyrosetta.rosetta.core.pack.task.PackerTask, resid: int) None ¶
Modify the packer task with the command that was read in
C++: core::pack::task::ResfileCommand::residue_action(class core::pack::task::PackerTask &, unsigned long) const –> void
- class pyrosetta.rosetta.core.pack.task.ResfileContents¶
Bases:
pybind11_object
- assign(self: pyrosetta.rosetta.core.pack.task.ResfileContents, : pyrosetta.rosetta.core.pack.task.ResfileContents) pyrosetta.rosetta.core.pack.task.ResfileContents ¶
C++: core::pack::task::ResfileContents::operator=(const class core::pack::task::ResfileContents &) –> class core::pack::task::ResfileContents &
- commands_for_residue(self: pyrosetta.rosetta.core.pack.task.ResfileContents, resid: int) pyrosetta.rosetta.std.list_std_shared_ptr_const_core_pack_task_ResfileCommand_t ¶
C++: core::pack::task::ResfileContents::commands_for_residue(unsigned long) const –> const class std::list<class std::shared_ptr<const class core::pack::task::ResfileCommand>, class std::allocator<class std::shared_ptr<const class core::pack::task::ResfileCommand> > > &
- default_commands(self: pyrosetta.rosetta.core.pack.task.ResfileContents) pyrosetta.rosetta.std.list_std_shared_ptr_const_core_pack_task_ResfileCommand_t ¶
C++: core::pack::task::ResfileContents::default_commands() const –> const class std::list<class std::shared_ptr<const class core::pack::task::ResfileCommand>, class std::allocator<class std::shared_ptr<const class core::pack::task::ResfileCommand> > > &
- fname_initialized_from(self: pyrosetta.rosetta.core.pack.task.ResfileContents) str ¶
C++: core::pack::task::ResfileContents::fname_initialized_from() const –> const std::string &
- specialized_commands_exist_for_residue(self: pyrosetta.rosetta.core.pack.task.ResfileContents, resid: int) bool ¶
C++: core::pack::task::ResfileContents::specialized_commands_exist_for_residue(unsigned long) const –> bool
- class pyrosetta.rosetta.core.pack.task.ResfileReaderException¶
Bases:
Exception
- add_msg(self: pyrosetta.rosetta.utility.excn.Exception, str: str) None ¶
C++: utility::excn::Exception::add_msg(const std::string &) –> void
- assign(self: pyrosetta.rosetta.core.pack.task.ResfileReaderException, : pyrosetta.rosetta.core.pack.task.ResfileReaderException) pyrosetta.rosetta.core.pack.task.ResfileReaderException ¶
C++: core::pack::task::ResfileReaderException::operator=(const class core::pack::task::ResfileReaderException &) –> class core::pack::task::ResfileReaderException &
- crash_log(self: pyrosetta.rosetta.utility.excn.Exception) None ¶
- Invoke a crash log for throwing this exception.
If your exception is one which is a “non-error” exception, override this function to do nothing.
C++: utility::excn::Exception::crash_log() const –> void
- display(self: pyrosetta.rosetta.utility.excn.Exception) None ¶
- Present this exception to the user.
Will invoke crash log reporting, if applicable
C++: utility::excn::Exception::display() const –> void
- file(self: pyrosetta.rosetta.utility.excn.Exception) str ¶
C++: utility::excn::Exception::file() –> const std::string &
- get_message(self: pyrosetta.rosetta.core.pack.task.ResfileReaderException) str ¶
C++: core::pack::task::ResfileReaderException::get_message() –> std::string
- line(self: pyrosetta.rosetta.utility.excn.Exception) int ¶
C++: utility::excn::Exception::line() –> int
- msg(*args, **kwargs)¶
Overloaded function.
msg(self: pyrosetta.rosetta.utility.excn.Exception) -> str
Will return a formatted message (with file/line information)
C++: utility::excn::Exception::msg() const –> std::string
msg(self: pyrosetta.rosetta.utility.excn.Exception, m: str) -> None
Will set the raw message.
C++: utility::excn::Exception::msg(const std::string &) –> void
- prepend_to_msg(self: pyrosetta.rosetta.utility.excn.Exception, str: str) None ¶
C++: utility::excn::Exception::prepend_to_msg(const std::string &) –> void
- raw_msg(self: pyrosetta.rosetta.utility.excn.Exception) str ¶
Will return the raw message (without file/line information)
C++: utility::excn::Exception::raw_msg() const –> std::string
- show(self: pyrosetta.rosetta.utility.excn.Exception, : pyrosetta.rosetta.std.ostream) None ¶
C++: utility::excn::Exception::show(std::ostream &) const –> void
- traceback(self: pyrosetta.rosetta.utility.excn.Exception) str ¶
C++: utility::excn::Exception::traceback() –> const std::string &
- what(self: pyrosetta.rosetta.std.exception) str ¶
C++: std::exception::what() const –> const char *
- class pyrosetta.rosetta.core.pack.task.ResidueLevelTask¶
Bases:
pybind11_object
- add_behavior(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask, behavior: str) None ¶
C++: core::pack::task::ResidueLevelTask::add_behavior(const std::string &) –> void
- adducts(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask) bool ¶
C++: core::pack::task::ResidueLevelTask::adducts() const –> bool
- allowed_residue_types(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask) pyrosetta.rosetta.std.list_std_shared_ptr_const_core_chemical_ResidueType_t ¶
C++: core::pack::task::ResidueLevelTask::allowed_residue_types() const –> const class std::list<class std::shared_ptr<const class core::chemical::ResidueType>, class std::allocator<class std::shared_ptr<const class core::chemical::ResidueType> > > &
- and_extrachi_cutoff(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask, num_neighbors_to_be_called_buried: int) None ¶
C++: core::pack::task::ResidueLevelTask::and_extrachi_cutoff(unsigned long) –> void
- append_rotamer_operation(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask, rotop: pyrosetta.rosetta.core.pack.rotamer_set.RotamerOperation) None ¶
C++: core::pack::task::ResidueLevelTask::append_rotamer_operation(class std::shared_ptr<class core::pack::rotamer_set::RotamerOperation>) –> void
- append_rotamerset_operation(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask, rotsetop: pyrosetta.rosetta.core.pack.rotamer_set.RotamerSetOperation) None ¶
C++: core::pack::task::ResidueLevelTask::append_rotamerset_operation(class std::shared_ptr<class core::pack::rotamer_set::RotamerSetOperation>) –> void
- assign(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask, : pyrosetta.rosetta.core.pack.task.ResidueLevelTask) pyrosetta.rosetta.core.pack.task.ResidueLevelTask ¶
C++: core::pack::task::ResidueLevelTask::operator=(const class core::pack::task::ResidueLevelTask &) –> class core::pack::task::ResidueLevelTask &
- being_designed(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask) bool ¶
C++: core::pack::task::ResidueLevelTask::being_designed() const –> bool
- being_packed(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask) bool ¶
C++: core::pack::task::ResidueLevelTask::being_packed() const –> bool
- command_string(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask) str ¶
C++: core::pack::task::ResidueLevelTask::command_string() const –> std::string
- disable_restypes(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask, basenames_to_disable: pyrosetta.rosetta.utility.vector1_std_string) None ¶
Disable residue types.
This function takes a vector of base names to prohibit. Anything in this list is turned off.
Vikram K. Mulligan (vmulligan.org).
C++: core::pack::task::ResidueLevelTask::disable_restypes(const class utility::vector1<std::string, class std::allocator<std::string > > &) –> void
- disable_restypes_with_at_least_one_property(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask, properties: pyrosetta.rosetta.utility.vector1_core_chemical_ResidueProperty) None ¶
Given a list of residue properties, eliminate any residue type that has any of the properties in the list.
Vikram K. Mulligan (vmulligan.org).
C++: core::pack::task::ResidueLevelTask::disable_restypes_with_at_least_one_property(const class utility::vector1<enum core::chemical::ResidueProperty, class std::allocator<enum core::chemical::ResidueProperty> > &) –> void
- ex1(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask) bool ¶
C++: core::pack::task::ResidueLevelTask::ex1() const –> bool
- ex1_sample_level(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask) pyrosetta.rosetta.core.pack.task.ExtraRotSample ¶
C++: core::pack::task::ResidueLevelTask::ex1_sample_level() const –> enum core::pack::task::ExtraRotSample
- ex1aro(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask) bool ¶
C++: core::pack::task::ResidueLevelTask::ex1aro() const –> bool
- ex1aro_exposed(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask) bool ¶
C++: core::pack::task::ResidueLevelTask::ex1aro_exposed() const –> bool
- ex1aro_exposed_sample_level(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask) pyrosetta.rosetta.core.pack.task.ExtraRotSample ¶
C++: core::pack::task::ResidueLevelTask::ex1aro_exposed_sample_level() const –> enum core::pack::task::ExtraRotSample
- ex1aro_sample_level(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask) pyrosetta.rosetta.core.pack.task.ExtraRotSample ¶
C++: core::pack::task::ResidueLevelTask::ex1aro_sample_level() const –> enum core::pack::task::ExtraRotSample
- ex2(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask) bool ¶
C++: core::pack::task::ResidueLevelTask::ex2() const –> bool
- ex2_sample_level(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask) pyrosetta.rosetta.core.pack.task.ExtraRotSample ¶
C++: core::pack::task::ResidueLevelTask::ex2_sample_level() const –> enum core::pack::task::ExtraRotSample
- ex2aro(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask) bool ¶
C++: core::pack::task::ResidueLevelTask::ex2aro() const –> bool
- ex2aro_exposed(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask) bool ¶
C++: core::pack::task::ResidueLevelTask::ex2aro_exposed() const –> bool
- ex2aro_exposed_sample_level(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask) pyrosetta.rosetta.core.pack.task.ExtraRotSample ¶
C++: core::pack::task::ResidueLevelTask::ex2aro_exposed_sample_level() const –> enum core::pack::task::ExtraRotSample
- ex2aro_sample_level(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask) pyrosetta.rosetta.core.pack.task.ExtraRotSample ¶
C++: core::pack::task::ResidueLevelTask::ex2aro_sample_level() const –> enum core::pack::task::ExtraRotSample
- ex3(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask) bool ¶
C++: core::pack::task::ResidueLevelTask::ex3() const –> bool
- ex3_sample_level(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask) pyrosetta.rosetta.core.pack.task.ExtraRotSample ¶
C++: core::pack::task::ResidueLevelTask::ex3_sample_level() const –> enum core::pack::task::ExtraRotSample
- ex4(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask) bool ¶
C++: core::pack::task::ResidueLevelTask::ex4() const –> bool
- ex4_sample_level(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask) pyrosetta.rosetta.core.pack.task.ExtraRotSample ¶
C++: core::pack::task::ResidueLevelTask::ex4_sample_level() const –> enum core::pack::task::ExtraRotSample
- exdna_sample_level(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask) pyrosetta.rosetta.core.pack.task.ExtraRotSample ¶
C++: core::pack::task::ResidueLevelTask::exdna_sample_level() const –> enum core::pack::task::ExtraRotSample
- extrachi_cutoff(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask) int ¶
C++: core::pack::task::ResidueLevelTask::extrachi_cutoff() const –> unsigned long
- extrachi_sample_level(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask, buried: bool, chi: int, concrete_residue: pyrosetta.rosetta.core.chemical.ResidueType) pyrosetta.rosetta.core.pack.task.ExtraRotSample ¶
C++: core::pack::task::ResidueLevelTask::extrachi_sample_level(bool, int, const class core::chemical::ResidueType &) const –> enum core::pack::task::ExtraRotSample
- fix_his_tautomer(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask) bool ¶
C++: core::pack::task::ResidueLevelTask::fix_his_tautomer() const –> bool
- flip_HNQ(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask) bool ¶
C++: core::pack::task::ResidueLevelTask::flip_HNQ() const –> bool
- get_original_residue(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask) pyrosetta.rosetta.core.chemical.AA ¶
C++: core::pack::task::ResidueLevelTask::get_original_residue() const –> const enum core::chemical::AA &
- get_original_residue_set(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask) pyrosetta.rosetta.core.chemical.ResidueTypeSet ¶
C++: core::pack::task::ResidueLevelTask::get_original_residue_set() const –> class std::shared_ptr<const class core::chemical::ResidueTypeSet>
- has_behavior(*args, **kwargs)¶
Overloaded function.
has_behavior(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask, behavior: str) -> bool
C++: core::pack::task::ResidueLevelTask::has_behavior(const std::string &) const –> bool
has_behavior(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask) -> bool
C++: core::pack::task::ResidueLevelTask::has_behavior() const –> bool
- include_current(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask) bool ¶
C++: core::pack::task::ResidueLevelTask::include_current() const –> bool
- include_virtual_side_chain(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask) bool ¶
C++: core::pack::task::ResidueLevelTask::include_virtual_side_chain() const –> bool
- initialize_extra_rotamer_flags_from_command_line(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask) None ¶
C++: core::pack::task::ResidueLevelTask::initialize_extra_rotamer_flags_from_command_line() –> void
- initialize_extra_rotamer_flags_from_options(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask, options: pyrosetta.rosetta.utility.options.OptionCollection) None ¶
C++: core::pack::task::ResidueLevelTask::initialize_extra_rotamer_flags_from_options(const class utility::options::OptionCollection &) –> void
- initialize_from_command_line(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask) None ¶
C++: core::pack::task::ResidueLevelTask::initialize_from_command_line() –> void
- initialize_from_options(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask, options: pyrosetta.rosetta.utility.options.OptionCollection) None ¶
C++: core::pack::task::ResidueLevelTask::initialize_from_options(const class utility::options::OptionCollection &) –> void
- is_original_type(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask, type: pyrosetta.rosetta.core.chemical.ResidueType) bool ¶
C++: core::pack::task::ResidueLevelTask::is_original_type(class std::shared_ptr<const class core::chemical::ResidueType>) const –> bool
- static list_options_read(read_options: pyrosetta.rosetta.std.list_utility_keys_VariantKey_utility_options_OptionKey_t) None ¶
C++: core::pack::task::ResidueLevelTask::list_options_read(class std::list<class utility::keys::VariantKey<class utility::options::OptionKey>, class std::allocator<class utility::keys::VariantKey<class utility::options::OptionKey> > > &) –> void
- nonconst_rna_task(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask) core::pack::task::rna::RNA_ResidueLevelTask ¶
C++: core::pack::task::ResidueLevelTask::nonconst_rna_task() –> class core::pack::task::rna::RNA_ResidueLevelTask &
- operate_on_ex1(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask) bool ¶
C++: core::pack::task::ResidueLevelTask::operate_on_ex1() const –> bool
- operate_on_ex2(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask) bool ¶
C++: core::pack::task::ResidueLevelTask::operate_on_ex2() const –> bool
- operate_on_ex3(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask) bool ¶
C++: core::pack::task::ResidueLevelTask::operate_on_ex3() const –> bool
- operate_on_ex4(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask) bool ¶
C++: core::pack::task::ResidueLevelTask::operate_on_ex4() const –> bool
- optimize_h(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask) bool ¶
C++: core::pack::task::ResidueLevelTask::optimize_h() const –> bool
- or_adducts(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask, setting: bool) None ¶
C++: core::pack::task::ResidueLevelTask::or_adducts(bool) –> void
- or_ex1(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask, ex1: bool) None ¶
C++: core::pack::task::ResidueLevelTask::or_ex1(bool) –> void
- or_ex1_sample_level(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask, ex1_sample_level: pyrosetta.rosetta.core.pack.task.ExtraRotSample) None ¶
C++: core::pack::task::ResidueLevelTask::or_ex1_sample_level(enum core::pack::task::ExtraRotSample) –> void
- or_ex1aro(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask, ex1aro: bool) None ¶
C++: core::pack::task::ResidueLevelTask::or_ex1aro(bool) –> void
- or_ex1aro_exposed(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask, ex1aro_exposed: bool) None ¶
C++: core::pack::task::ResidueLevelTask::or_ex1aro_exposed(bool) –> void
- or_ex1aro_exposed_sample_level(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask, ex1aro_exposed_sample_level: pyrosetta.rosetta.core.pack.task.ExtraRotSample) None ¶
C++: core::pack::task::ResidueLevelTask::or_ex1aro_exposed_sample_level(enum core::pack::task::ExtraRotSample) –> void
- or_ex1aro_sample_level(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask, ex1aro_sample_level: pyrosetta.rosetta.core.pack.task.ExtraRotSample) None ¶
C++: core::pack::task::ResidueLevelTask::or_ex1aro_sample_level(enum core::pack::task::ExtraRotSample) –> void
- or_ex2(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask, ex2: bool) None ¶
C++: core::pack::task::ResidueLevelTask::or_ex2(bool) –> void
- or_ex2_sample_level(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask, ex2_sample_level: pyrosetta.rosetta.core.pack.task.ExtraRotSample) None ¶
C++: core::pack::task::ResidueLevelTask::or_ex2_sample_level(enum core::pack::task::ExtraRotSample) –> void
- or_ex2aro(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask, ex2aro: bool) None ¶
C++: core::pack::task::ResidueLevelTask::or_ex2aro(bool) –> void
- or_ex2aro_exposed(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask, ex2aro_exposed: bool) None ¶
C++: core::pack::task::ResidueLevelTask::or_ex2aro_exposed(bool) –> void
- or_ex2aro_exposed_sample_level(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask, ex2aro_exposed_sample_level: pyrosetta.rosetta.core.pack.task.ExtraRotSample) None ¶
C++: core::pack::task::ResidueLevelTask::or_ex2aro_exposed_sample_level(enum core::pack::task::ExtraRotSample) –> void
- or_ex2aro_sample_level(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask, ex2aro_only_sample_level: pyrosetta.rosetta.core.pack.task.ExtraRotSample) None ¶
C++: core::pack::task::ResidueLevelTask::or_ex2aro_sample_level(enum core::pack::task::ExtraRotSample) –> void
- or_ex3(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask, ex3: bool) None ¶
C++: core::pack::task::ResidueLevelTask::or_ex3(bool) –> void
- or_ex3_sample_level(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask, ex3_sample_level: pyrosetta.rosetta.core.pack.task.ExtraRotSample) None ¶
C++: core::pack::task::ResidueLevelTask::or_ex3_sample_level(enum core::pack::task::ExtraRotSample) –> void
- or_ex4(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask, ex4: bool) None ¶
C++: core::pack::task::ResidueLevelTask::or_ex4(bool) –> void
- or_ex4_sample_level(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask, ex4_sample_level: pyrosetta.rosetta.core.pack.task.ExtraRotSample) None ¶
C++: core::pack::task::ResidueLevelTask::or_ex4_sample_level(enum core::pack::task::ExtraRotSample) –> void
- or_exdna_sample_level(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask, exdna_sample_level: pyrosetta.rosetta.core.pack.task.ExtraRotSample) None ¶
C++: core::pack::task::ResidueLevelTask::or_exdna_sample_level(enum core::pack::task::ExtraRotSample) –> void
- or_fix_his_tautomer(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask, setting: bool) None ¶
C++: core::pack::task::ResidueLevelTask::or_fix_his_tautomer(bool) –> void
- or_flip_HNQ(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask, setting: bool) None ¶
C++: core::pack::task::ResidueLevelTask::or_flip_HNQ(bool) –> void
- or_include_current(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask, include_current: bool) None ¶
C++: core::pack::task::ResidueLevelTask::or_include_current(bool) –> void
- or_include_virtual_side_chain(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask, include_virtual_side_chain: bool) None ¶
C++: core::pack::task::ResidueLevelTask::or_include_virtual_side_chain(bool) –> void
- or_operate_on_ex1(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask, operate: bool) None ¶
C++: core::pack::task::ResidueLevelTask::or_operate_on_ex1(bool) –> void
- or_operate_on_ex2(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask, operate: bool) None ¶
C++: core::pack::task::ResidueLevelTask::or_operate_on_ex2(bool) –> void
- or_operate_on_ex3(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask, operate: bool) None ¶
C++: core::pack::task::ResidueLevelTask::or_operate_on_ex3(bool) –> void
- or_operate_on_ex4(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask, operate: bool) None ¶
C++: core::pack::task::ResidueLevelTask::or_operate_on_ex4(bool) –> void
- or_optimize_h(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask, setting: bool) None ¶
C++: core::pack::task::ResidueLevelTask::or_optimize_h(bool) –> void
- or_preserve_c_beta(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask, setting: bool) None ¶
C++: core::pack::task::ResidueLevelTask::or_preserve_c_beta(bool) –> void
- preserve_c_beta(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask) bool ¶
C++: core::pack::task::ResidueLevelTask::preserve_c_beta() const –> bool
- prevent_repacking(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask) None ¶
C++: core::pack::task::ResidueLevelTask::prevent_repacking() –> void
- print_allowed_types(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask, os: pyrosetta.rosetta.std.ostream) None ¶
C++: core::pack::task::ResidueLevelTask::print_allowed_types(std::ostream &) const –> void
- restrict_absent_canonical_aas(*args, **kwargs)¶
Overloaded function.
restrict_absent_canonical_aas(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask, : pyrosetta.rosetta.utility.vector1_bool) -> None
C++: core::pack::task::ResidueLevelTask::restrict_absent_canonical_aas(const class utility::vector1<bool, class std::allocator<bool> > &) –> void
restrict_absent_canonical_aas(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask, allowed_aas: pyrosetta.rosetta.utility.vector1_bool, mode: str) -> None
C++: core::pack::task::ResidueLevelTask::restrict_absent_canonical_aas(const class utility::vector1<bool, class std::allocator<bool> > &, const std::string &) –> void
- restrict_absent_nas(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask, keep_nas: pyrosetta.rosetta.utility.vector1_core_chemical_AA) None ¶
disables designing to nucleic acid residues not in the passed list
C++: core::pack::task::ResidueLevelTask::restrict_absent_nas(const class utility::vector1<enum core::chemical::AA, class std::allocator<enum core::chemical::AA> > &) –> void
- restrict_nonnative_canonical_aas(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask, allowed_aas: pyrosetta.rosetta.utility.vector1_bool) None ¶
C++: core::pack::task::ResidueLevelTask::restrict_nonnative_canonical_aas(const class utility::vector1<bool, class std::allocator<bool> > &) –> void
- restrict_restypes(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask, basenames_to_keep: pyrosetta.rosetta.utility.vector1_std_string) None ¶
Restrict residue types.
This function takes a vector of base names to allow. Anything not in this list is turned off.
Vikram K. Mulligan (vmulligan.org).
C++: core::pack::task::ResidueLevelTask::restrict_restypes(const class utility::vector1<std::string, class std::allocator<std::string > > &) –> void
- restrict_to_repacking(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask) None ¶
C++: core::pack::task::ResidueLevelTask::restrict_to_repacking() –> void
- restrict_to_restypes_with_all_properties(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask, properties: pyrosetta.rosetta.utility.vector1_core_chemical_ResidueProperty) None ¶
Given a list of residue properties, eliminate any residue type that does not have ALL of the properties in the list.
Vikram K. Mulligan (vmulligan.org).
C++: core::pack::task::ResidueLevelTask::restrict_to_restypes_with_all_properties(const class utility::vector1<enum core::chemical::ResidueProperty, class std::allocator<enum core::chemical::ResidueProperty> > &) –> void
- restrict_to_restypes_with_at_least_one_property(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask, properties: pyrosetta.rosetta.utility.vector1_core_chemical_ResidueProperty) None ¶
- Given a list of residue properties, eliminate any residue type that does not have at
least one of the properties in the list.
Vikram K. Mulligan (vmulligan.org).
C++: core::pack::task::ResidueLevelTask::restrict_to_restypes_with_at_least_one_property(const class utility::vector1<enum core::chemical::ResidueProperty, class std::allocator<enum core::chemical::ResidueProperty> > &) –> void
- rna_task(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask) core::pack::task::rna::RNA_ResidueLevelTask ¶
C++: core::pack::task::ResidueLevelTask::rna_task() const –> const class core::pack::task::rna::RNA_ResidueLevelTask &
- rotamer_operations(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask) pyrosetta.rosetta.std.list_std_shared_ptr_core_pack_rotamer_set_RotamerOperation_t ¶
C++: core::pack::task::ResidueLevelTask::rotamer_operations() const –> const class std::list<class std::shared_ptr<class core::pack::rotamer_set::RotamerOperation>, class std::allocator<class std::shared_ptr<class core::pack::rotamer_set::RotamerOperation> > > &
- sample_proton_chi(*args, **kwargs)¶
Overloaded function.
sample_proton_chi(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask, setting: bool) -> None
C++: core::pack::task::ResidueLevelTask::sample_proton_chi(bool) –> void
sample_proton_chi(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask) -> bool
C++: core::pack::task::ResidueLevelTask::sample_proton_chi() const –> bool
- target_type(*args, **kwargs)¶
Overloaded function.
target_type(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask, type: pyrosetta.rosetta.core.chemical.ResidueType) -> None
C++: core::pack::task::ResidueLevelTask::target_type(class std::shared_ptr<const class core::chemical::ResidueType>) –> void
target_type(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask, aa: pyrosetta.rosetta.core.chemical.AA) -> None
C++: core::pack::task::ResidueLevelTask::target_type(enum core::chemical::AA) –> void
target_type(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask, name: str) -> None
C++: core::pack::task::ResidueLevelTask::target_type(std::string) –> void
target_type(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask) -> pyrosetta.rosetta.core.chemical.ResidueType
C++: core::pack::task::ResidueLevelTask::target_type() const –> class std::shared_ptr<const class core::chemical::ResidueType>
- class pyrosetta.rosetta.core.pack.task.ResidueLevelTask_¶
Bases:
ResidueLevelTask
Residue-level task class
- add_behavior(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask_, behavior: str) None ¶
C++: core::pack::task::ResidueLevelTask_::add_behavior(const std::string &) –> void
- adducts(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask_) bool ¶
C++: core::pack::task::ResidueLevelTask_::adducts() const –> bool
- allowed_residue_types(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask_) pyrosetta.rosetta.std.list_std_shared_ptr_const_core_chemical_ResidueType_t ¶
C++: core::pack::task::ResidueLevelTask_::allowed_residue_types() const –> const class std::list<class std::shared_ptr<const class core::chemical::ResidueType>, class std::allocator<class std::shared_ptr<const class core::chemical::ResidueType> > > &
- and_extrachi_cutoff(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask_, num_neighbors_to_be_called_buried: int) None ¶
lower extrachi_cutoff to given value; do nothing if not a decrease
C++: core::pack::task::ResidueLevelTask_::and_extrachi_cutoff(unsigned long) –> void
- append_rotamer_operation(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask_, rotop: pyrosetta.rosetta.core.pack.rotamer_set.RotamerOperation) None ¶
C++: core::pack::task::ResidueLevelTask_::append_rotamer_operation(class std::shared_ptr<class core::pack::rotamer_set::RotamerOperation>) –> void
- append_rotamerset_operation(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask_, rotsetop: pyrosetta.rosetta.core.pack.rotamer_set.RotamerSetOperation) None ¶
C++: core::pack::task::ResidueLevelTask_::append_rotamerset_operation(class std::shared_ptr<class core::pack::rotamer_set::RotamerSetOperation>) –> void
- assign(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask_, : pyrosetta.rosetta.core.pack.task.ResidueLevelTask_) pyrosetta.rosetta.core.pack.task.ResidueLevelTask_ ¶
C++: core::pack::task::ResidueLevelTask_::operator=(const class core::pack::task::ResidueLevelTask_ &) –> class core::pack::task::ResidueLevelTask_ &
- being_designed(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask_) bool ¶
is this residue up for design (variable sequence)?
C++: core::pack::task::ResidueLevelTask_::being_designed() const –> bool
- being_packed(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask_) bool ¶
is this residue modififable at all by the packer?
C++: core::pack::task::ResidueLevelTask_::being_packed() const –> bool
- command_string(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask_) str ¶
create a string the resfile format of all the commands applied to this residue level task
C++: core::pack::task::ResidueLevelTask_::command_string() const –> std::string
- disable_restypes(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask_, basenames_to_disable: pyrosetta.rosetta.utility.vector1_std_string) None ¶
Disable residue types.
This function takes a vector of base names to prohibit. Anything in this list is turned off.
Vikram K. Mulligan (vmulligan.org).
C++: core::pack::task::ResidueLevelTask_::disable_restypes(const class utility::vector1<std::string, class std::allocator<std::string > > &) –> void
- disable_restypes_with_at_least_one_property(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask_, properties: pyrosetta.rosetta.utility.vector1_core_chemical_ResidueProperty) None ¶
Given a list of residue properties, eliminate any residue type that has any of the properties in the list.
Vikram K. Mulligan (vmulligan.org).
C++: core::pack::task::ResidueLevelTask_::disable_restypes_with_at_least_one_property(const class utility::vector1<enum core::chemical::ResidueProperty, class std::allocator<enum core::chemical::ResidueProperty> > &) –> void
- ex1(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask_) bool ¶
C++: core::pack::task::ResidueLevelTask_::ex1() const –> bool
- ex1_sample_level(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask_) pyrosetta.rosetta.core.pack.task.ExtraRotSample ¶
C++: core::pack::task::ResidueLevelTask_::ex1_sample_level() const –> enum core::pack::task::ExtraRotSample
- ex1aro(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask_) bool ¶
C++: core::pack::task::ResidueLevelTask_::ex1aro() const –> bool
- ex1aro_exposed(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask_) bool ¶
C++: core::pack::task::ResidueLevelTask_::ex1aro_exposed() const –> bool
- ex1aro_exposed_sample_level(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask_) pyrosetta.rosetta.core.pack.task.ExtraRotSample ¶
C++: core::pack::task::ResidueLevelTask_::ex1aro_exposed_sample_level() const –> enum core::pack::task::ExtraRotSample
- ex1aro_sample_level(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask_) pyrosetta.rosetta.core.pack.task.ExtraRotSample ¶
C++: core::pack::task::ResidueLevelTask_::ex1aro_sample_level() const –> enum core::pack::task::ExtraRotSample
- ex2(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask_) bool ¶
C++: core::pack::task::ResidueLevelTask_::ex2() const –> bool
- ex2_sample_level(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask_) pyrosetta.rosetta.core.pack.task.ExtraRotSample ¶
C++: core::pack::task::ResidueLevelTask_::ex2_sample_level() const –> enum core::pack::task::ExtraRotSample
- ex2aro(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask_) bool ¶
C++: core::pack::task::ResidueLevelTask_::ex2aro() const –> bool
- ex2aro_exposed(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask_) bool ¶
C++: core::pack::task::ResidueLevelTask_::ex2aro_exposed() const –> bool
- ex2aro_exposed_sample_level(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask_) pyrosetta.rosetta.core.pack.task.ExtraRotSample ¶
C++: core::pack::task::ResidueLevelTask_::ex2aro_exposed_sample_level() const –> enum core::pack::task::ExtraRotSample
- ex2aro_sample_level(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask_) pyrosetta.rosetta.core.pack.task.ExtraRotSample ¶
C++: core::pack::task::ResidueLevelTask_::ex2aro_sample_level() const –> enum core::pack::task::ExtraRotSample
- ex3(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask_) bool ¶
C++: core::pack::task::ResidueLevelTask_::ex3() const –> bool
- ex3_sample_level(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask_) pyrosetta.rosetta.core.pack.task.ExtraRotSample ¶
C++: core::pack::task::ResidueLevelTask_::ex3_sample_level() const –> enum core::pack::task::ExtraRotSample
- ex4(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask_) bool ¶
C++: core::pack::task::ResidueLevelTask_::ex4() const –> bool
- ex4_sample_level(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask_) pyrosetta.rosetta.core.pack.task.ExtraRotSample ¶
C++: core::pack::task::ResidueLevelTask_::ex4_sample_level() const –> enum core::pack::task::ExtraRotSample
- exdna_sample_level(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask_) pyrosetta.rosetta.core.pack.task.ExtraRotSample ¶
C++: core::pack::task::ResidueLevelTask_::exdna_sample_level() const –> enum core::pack::task::ExtraRotSample
- extrachi_cutoff(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask_) int ¶
get function for extrachi_cutoff
C++: core::pack::task::ResidueLevelTask_::extrachi_cutoff() const –> unsigned long
- extrachi_sample_level(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask_, buried: bool, chi: int, concrete_residue: pyrosetta.rosetta.core.chemical.ResidueType) pyrosetta.rosetta.core.pack.task.ExtraRotSample ¶
returns the extra chi sampling level
C++: core::pack::task::ResidueLevelTask_::extrachi_sample_level(bool, int, const class core::chemical::ResidueType &) const –> enum core::pack::task::ExtraRotSample
- fix_his_tautomer(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask_) bool ¶
C++: core::pack::task::ResidueLevelTask_::fix_his_tautomer() const –> bool
- flip_HNQ(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask_) bool ¶
C++: core::pack::task::ResidueLevelTask_::flip_HNQ() const –> bool
- get_original_residue(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask_) pyrosetta.rosetta.core.chemical.AA ¶
C++: core::pack::task::ResidueLevelTask_::get_original_residue() const –> const enum core::chemical::AA &
- get_original_residue_set(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask_) pyrosetta.rosetta.core.chemical.ResidueTypeSet ¶
C++: core::pack::task::ResidueLevelTask_::get_original_residue_set() const –> class std::shared_ptr<const class core::chemical::ResidueTypeSet>
- has_behavior(*args, **kwargs)¶
Overloaded function.
has_behavior(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask_, behavior: str) -> bool
C++: core::pack::task::ResidueLevelTask_::has_behavior(const std::string &) const –> bool
has_behavior(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask_) -> bool
C++: core::pack::task::ResidueLevelTask_::has_behavior() const –> bool
- include_current(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask_) bool ¶
is the pre-existing rotamer specifically allowed while packing?
C++: core::pack::task::ResidueLevelTask_::include_current() const –> bool
- include_virtual_side_chain(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask_) bool ¶
C++: core::pack::task::ResidueLevelTask_::include_virtual_side_chain() const –> bool
- initialize_extra_rotamer_flags_from_command_line(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask_) None ¶
- Initialize only the extra rotamer building flags from the command line;
invoked by intialize_from_command_line();
C++: core::pack::task::ResidueLevelTask_::initialize_extra_rotamer_flags_from_command_line() –> void
- initialize_extra_rotamer_flags_from_options(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask_, options: pyrosetta.rosetta.utility.options.OptionCollection) None ¶
C++: core::pack::task::ResidueLevelTask_::initialize_extra_rotamer_flags_from_options(const class utility::options::OptionCollection &) –> void
- initialize_from_command_line(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask_) None ¶
initialize options from command line flags
C++: core::pack::task::ResidueLevelTask_::initialize_from_command_line() –> void
- initialize_from_options(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask_, options: pyrosetta.rosetta.utility.options.OptionCollection) None ¶
C++: core::pack::task::ResidueLevelTask_::initialize_from_options(const class utility::options::OptionCollection &) –> void
- is_original_type(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask_, type: pyrosetta.rosetta.core.chemical.ResidueType) bool ¶
C++: core::pack::task::ResidueLevelTask_::is_original_type(class std::shared_ptr<const class core::chemical::ResidueType>) const –> bool
- static list_options_read(read_options: pyrosetta.rosetta.std.list_utility_keys_VariantKey_utility_options_OptionKey_t) None ¶
C++: core::pack::task::ResidueLevelTask::list_options_read(class std::list<class utility::keys::VariantKey<class utility::options::OptionKey>, class std::allocator<class utility::keys::VariantKey<class utility::options::OptionKey> > > &) –> void
- nonconst_rna_task(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask) core::pack::task::rna::RNA_ResidueLevelTask ¶
C++: core::pack::task::ResidueLevelTask::nonconst_rna_task() –> class core::pack::task::rna::RNA_ResidueLevelTask &
- operate_on_ex1(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask_) bool ¶
C++: core::pack::task::ResidueLevelTask_::operate_on_ex1() const –> bool
- operate_on_ex2(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask_) bool ¶
C++: core::pack::task::ResidueLevelTask_::operate_on_ex2() const –> bool
- operate_on_ex3(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask_) bool ¶
C++: core::pack::task::ResidueLevelTask_::operate_on_ex3() const –> bool
- operate_on_ex4(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask_) bool ¶
C++: core::pack::task::ResidueLevelTask_::operate_on_ex4() const –> bool
- optimize_h(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask_) bool ¶
C++: core::pack::task::ResidueLevelTask_::optimize_h() const –> bool
- or_adducts(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask_, setting: bool) None ¶
include adducts at this residue
C++: core::pack::task::ResidueLevelTask_::or_adducts(bool) –> void
- or_ex1(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask_, ex1: bool) None ¶
activate ex1 when passed true; do nothing otherwise
C++: core::pack::task::ResidueLevelTask_::or_ex1(bool) –> void
- or_ex1_sample_level(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask_, ex1_sample_level: pyrosetta.rosetta.core.pack.task.ExtraRotSample) None ¶
increase ex1 sample level; do nothing if not an increase
C++: core::pack::task::ResidueLevelTask_::or_ex1_sample_level(enum core::pack::task::ExtraRotSample) –> void
- or_ex1aro(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask_, ex1aro: bool) None ¶
activate ex1 for aromatics when passed true; do nothing otherwise
C++: core::pack::task::ResidueLevelTask_::or_ex1aro(bool) –> void
- or_ex1aro_exposed(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask_, ex1aro_exposed: bool) None ¶
activate ex1 for exposed aromatics when passed true; do nothing otherwise
C++: core::pack::task::ResidueLevelTask_::or_ex1aro_exposed(bool) –> void
- or_ex1aro_exposed_sample_level(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask_, ex1aro_exposed_sample_level: pyrosetta.rosetta.core.pack.task.ExtraRotSample) None ¶
increase ex1aro_exposed sample level; do nothing if not an increase
C++: core::pack::task::ResidueLevelTask_::or_ex1aro_exposed_sample_level(enum core::pack::task::ExtraRotSample) –> void
- or_ex1aro_sample_level(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask_, ex1aro_sample_level: pyrosetta.rosetta.core.pack.task.ExtraRotSample) None ¶
increase ex1aro sample level; do nothing if not an increase
C++: core::pack::task::ResidueLevelTask_::or_ex1aro_sample_level(enum core::pack::task::ExtraRotSample) –> void
- or_ex2(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask_, ex2: bool) None ¶
activate ex2 when passed true; do nothing otherwise
C++: core::pack::task::ResidueLevelTask_::or_ex2(bool) –> void
- or_ex2_sample_level(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask_, ex2_sample_level: pyrosetta.rosetta.core.pack.task.ExtraRotSample) None ¶
increase ex2 sample level; do nothing if not an increase
C++: core::pack::task::ResidueLevelTask_::or_ex2_sample_level(enum core::pack::task::ExtraRotSample) –> void
- or_ex2aro(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask_, ex2aro_only: bool) None ¶
activate ex2 for aromatics when passed true; do nothing otherwise
C++: core::pack::task::ResidueLevelTask_::or_ex2aro(bool) –> void
- or_ex2aro_exposed(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask_, ex2aro_exposed: bool) None ¶
activate ex2 for exposed aromatics when passed true; do nothing otherwise
C++: core::pack::task::ResidueLevelTask_::or_ex2aro_exposed(bool) –> void
- or_ex2aro_exposed_sample_level(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask_, ex2aro_exposed_sample_level: pyrosetta.rosetta.core.pack.task.ExtraRotSample) None ¶
increase ex2aro_exposed sample level; do nothing if not an increase
C++: core::pack::task::ResidueLevelTask_::or_ex2aro_exposed_sample_level(enum core::pack::task::ExtraRotSample) –> void
- or_ex2aro_sample_level(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask_, ex2aro_only_sample_level: pyrosetta.rosetta.core.pack.task.ExtraRotSample) None ¶
increase ex2aro sample level; do nothing if not an increase
C++: core::pack::task::ResidueLevelTask_::or_ex2aro_sample_level(enum core::pack::task::ExtraRotSample) –> void
- or_ex3(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask_, ex3: bool) None ¶
activate ex3 when passed true; do nothing otherwise
C++: core::pack::task::ResidueLevelTask_::or_ex3(bool) –> void
- or_ex3_sample_level(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask_, ex3_sample_level: pyrosetta.rosetta.core.pack.task.ExtraRotSample) None ¶
increase ex3 sample level; do nothing if not an increase
C++: core::pack::task::ResidueLevelTask_::or_ex3_sample_level(enum core::pack::task::ExtraRotSample) –> void
- or_ex4(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask_, ex4: bool) None ¶
activate ex4 when passed true; do nothing otherwise
C++: core::pack::task::ResidueLevelTask_::or_ex4(bool) –> void
- or_ex4_sample_level(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask_, ex4_sample_level: pyrosetta.rosetta.core.pack.task.ExtraRotSample) None ¶
increase ex4 sample level; do nothing if not an increase
C++: core::pack::task::ResidueLevelTask_::or_ex4_sample_level(enum core::pack::task::ExtraRotSample) –> void
- or_exdna_sample_level(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask_, exdna_sample_level: pyrosetta.rosetta.core.pack.task.ExtraRotSample) None ¶
C++: core::pack::task::ResidueLevelTask_::or_exdna_sample_level(enum core::pack::task::ExtraRotSample) –> void
- or_fix_his_tautomer(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask_, setting: bool) None ¶
C++: core::pack::task::ResidueLevelTask_::or_fix_his_tautomer(bool) –> void
- or_flip_HNQ(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask_, setting: bool) None ¶
C++: core::pack::task::ResidueLevelTask_::or_flip_HNQ(bool) –> void
- or_include_current(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask_, include_current: bool) None ¶
include the pre-existing rotamer while packing
C++: core::pack::task::ResidueLevelTask_::or_include_current(bool) –> void
- or_include_virtual_side_chain(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask_, setting: bool) None ¶
C++: core::pack::task::ResidueLevelTask_::or_include_virtual_side_chain(bool) –> void
- or_operate_on_ex1(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask_, operate: bool) None ¶
C++: core::pack::task::ResidueLevelTask_::or_operate_on_ex1(bool) –> void
- or_operate_on_ex2(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask_, operate: bool) None ¶
C++: core::pack::task::ResidueLevelTask_::or_operate_on_ex2(bool) –> void
- or_operate_on_ex3(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask_, operate: bool) None ¶
C++: core::pack::task::ResidueLevelTask_::or_operate_on_ex3(bool) –> void
- or_operate_on_ex4(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask_, operate: bool) None ¶
C++: core::pack::task::ResidueLevelTask_::or_operate_on_ex4(bool) –> void
- or_optimize_h(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask_, setting: bool) None ¶
C++: core::pack::task::ResidueLevelTask_::or_optimize_h(bool) –> void
- or_preserve_c_beta(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask_, setting: bool) None ¶
C++: core::pack::task::ResidueLevelTask_::or_preserve_c_beta(bool) –> void
- preserve_c_beta(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask_) bool ¶
C++: core::pack::task::ResidueLevelTask_::preserve_c_beta() const –> bool
- prevent_repacking(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask_) None ¶
remove all ResidueTypes from the list of allowed residue types, preventing repacking
C++: core::pack::task::ResidueLevelTask_::prevent_repacking() –> void
- print_allowed_types(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask_, os: pyrosetta.rosetta.std.ostream) None ¶
C++: core::pack::task::ResidueLevelTask_::print_allowed_types(std::ostream &) const –> void
- restrict_absent_canonical_aas(*args, **kwargs)¶
Overloaded function.
restrict_absent_canonical_aas(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask_, : pyrosetta.rosetta.utility.vector1_bool) -> None
disables designing to residues not in the passed list
C++: core::pack::task::ResidueLevelTask_::restrict_absent_canonical_aas(const class utility::vector1<bool, class std::allocator<bool> > &) –> void
restrict_absent_canonical_aas(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask_, allowed_aas: pyrosetta.rosetta.utility.vector1_bool, mode: str) -> None
disables designing to residues not in the passed list–and specifies the resfile command that made this list
C++: core::pack::task::ResidueLevelTask_::restrict_absent_canonical_aas(const class utility::vector1<bool, class std::allocator<bool> > &, const std::string &) –> void
- restrict_absent_nas(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask_, keep_nas: pyrosetta.rosetta.utility.vector1_core_chemical_AA) None ¶
disables designing to nucleic acid residues not in the passed list
C++: core::pack::task::ResidueLevelTask_::restrict_absent_nas(const class utility::vector1<enum core::chemical::AA, class std::allocator<enum core::chemical::AA> > &) –> void
- restrict_nonnative_canonical_aas(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask_, allowed_aas: pyrosetta.rosetta.utility.vector1_bool) None ¶
C++: core::pack::task::ResidueLevelTask_::restrict_nonnative_canonical_aas(const class utility::vector1<bool, class std::allocator<bool> > &) –> void
- restrict_restypes(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask_, basenames_to_keep: pyrosetta.rosetta.utility.vector1_std_string) None ¶
Restrict residue types.
This function takes a vector of base names to allow. Anything not in this list is turned off.
Vikram K. Mulligan (vmulligan.org).
C++: core::pack::task::ResidueLevelTask_::restrict_restypes(const class utility::vector1<std::string, class std::allocator<std::string > > &) –> void
- restrict_to_repacking(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask_) None ¶
only let this residue repack – prevent redesign
C++: core::pack::task::ResidueLevelTask_::restrict_to_repacking() –> void
- restrict_to_restypes_with_all_properties(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask_, properties: pyrosetta.rosetta.utility.vector1_core_chemical_ResidueProperty) None ¶
Given a list of residue properties, eliminate any residue type that does not have ALL of the properties in the list.
Vikram K. Mulligan (vmulligan.org).
C++: core::pack::task::ResidueLevelTask_::restrict_to_restypes_with_all_properties(const class utility::vector1<enum core::chemical::ResidueProperty, class std::allocator<enum core::chemical::ResidueProperty> > &) –> void
- restrict_to_restypes_with_at_least_one_property(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask_, properties: pyrosetta.rosetta.utility.vector1_core_chemical_ResidueProperty) None ¶
- Given a list of residue properties, eliminate any residue type that does not have at
least one of the properties in the list.
Vikram K. Mulligan (vmulligan.org).
C++: core::pack::task::ResidueLevelTask_::restrict_to_restypes_with_at_least_one_property(const class utility::vector1<enum core::chemical::ResidueProperty, class std::allocator<enum core::chemical::ResidueProperty> > &) –> void
- rna_task(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask) core::pack::task::rna::RNA_ResidueLevelTask ¶
C++: core::pack::task::ResidueLevelTask::rna_task() const –> const class core::pack::task::rna::RNA_ResidueLevelTask &
- rotamer_operations(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask_) pyrosetta.rosetta.std.list_std_shared_ptr_core_pack_rotamer_set_RotamerOperation_t ¶
C++: core::pack::task::ResidueLevelTask_::rotamer_operations() const –> const class std::list<class std::shared_ptr<class core::pack::rotamer_set::RotamerOperation>, class std::allocator<class std::shared_ptr<class core::pack::rotamer_set::RotamerOperation> > > &
- sample_proton_chi(*args, **kwargs)¶
Overloaded function.
sample_proton_chi(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask_, setting: bool) -> None
sample proton chi.
C++: core::pack::task::ResidueLevelTask_::sample_proton_chi(bool) –> void
sample_proton_chi(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask_) -> bool
sample proton chi.
C++: core::pack::task::ResidueLevelTask_::sample_proton_chi() const –> bool
- target_type(*args, **kwargs)¶
Overloaded function.
target_type(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask_, type: pyrosetta.rosetta.core.chemical.ResidueType) -> None
C++: core::pack::task::ResidueLevelTask_::target_type(class std::shared_ptr<const class core::chemical::ResidueType>) –> void
target_type(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask_, aa: pyrosetta.rosetta.core.chemical.AA) -> None
C++: core::pack::task::ResidueLevelTask_::target_type(enum core::chemical::AA) –> void
target_type(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask_, name: str) -> None
C++: core::pack::task::ResidueLevelTask_::target_type(std::string) –> void
target_type(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask_) -> pyrosetta.rosetta.core.chemical.ResidueType
C++: core::pack::task::ResidueLevelTask_::target_type() const –> class std::shared_ptr<const class core::chemical::ResidueType>
- update_commutative(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask_, res_task_in: pyrosetta.rosetta.core.pack.task.ResidueLevelTask) None ¶
C++: core::pack::task::ResidueLevelTask_::update_commutative(const class core::pack::task::ResidueLevelTask &) –> void
- update_intersection(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask_, res_task_in: pyrosetta.rosetta.core.pack.task.ResidueLevelTask) None ¶
C++: core::pack::task::ResidueLevelTask_::update_intersection(const class core::pack::task::ResidueLevelTask &) –> void
- update_union(self: pyrosetta.rosetta.core.pack.task.ResidueLevelTask_, res_task_in: pyrosetta.rosetta.core.pack.task.ResidueLevelTask) None ¶
////////////////////////// dangerous update functions
C++: core::pack::task::ResidueLevelTask_::update_union(const class core::pack::task::ResidueLevelTask &) –> void
- class pyrosetta.rosetta.core.pack.task.SCAN¶
Bases:
ResfileCommand
SCAN suggests to some packing routines that if there are multiple type choices for this residue, then each of them should be considered explicitly in one way or another
This is a protocol-level flag to be used in non-vanilla packers
ashworth
- assign(self: pyrosetta.rosetta.core.pack.task.SCAN, : pyrosetta.rosetta.core.pack.task.SCAN) pyrosetta.rosetta.core.pack.task.SCAN ¶
C++: core::pack::task::SCAN::operator=(const class core::pack::task::SCAN &) –> class core::pack::task::SCAN &
- clone(self: pyrosetta.rosetta.core.pack.task.SCAN) pyrosetta.rosetta.core.pack.task.ResfileCommand ¶
C++: core::pack::task::SCAN::clone() const –> class std::shared_ptr<class core::pack::task::ResfileCommand>
- get_name(self: pyrosetta.rosetta.core.pack.task.SCAN) str ¶
C++: core::pack::task::SCAN::get_name() –> std::string
- initialize_from_tokens(self: pyrosetta.rosetta.core.pack.task.SCAN, tokens: pyrosetta.rosetta.utility.vector1_std_string, which_token: int, resid: int) None ¶
C++: core::pack::task::SCAN::initialize_from_tokens(const class utility::vector1<std::string, class std::allocator<std::string > > &, unsigned long &, unsigned long) –> void
- static name() str ¶
C++: core::pack::task::SCAN::name() –> std::string
- class pyrosetta.rosetta.core.pack.task.TARGET¶
Bases:
ResfileCommand
TARGET flags the position as “targeted”, and can optionally specify a “targeted” type
This is a protocol-level flag to be used in non-vanilla packers–positions flagged as “targeted” may be treated in a special fashion
The optional specification of a target type is be useful for multistate considerations: multistate protocols need 1) rotamers and energies for all possible states, and 2) a target state The target type must be a member of PackerTask’s allowed_types_
ashworth
- assign(self: pyrosetta.rosetta.core.pack.task.TARGET, : pyrosetta.rosetta.core.pack.task.TARGET) pyrosetta.rosetta.core.pack.task.TARGET ¶
C++: core::pack::task::TARGET::operator=(const class core::pack::task::TARGET &) –> class core::pack::task::TARGET &
- clone(self: pyrosetta.rosetta.core.pack.task.TARGET) pyrosetta.rosetta.core.pack.task.ResfileCommand ¶
C++: core::pack::task::TARGET::clone() const –> class std::shared_ptr<class core::pack::task::ResfileCommand>
- get_name(self: pyrosetta.rosetta.core.pack.task.TARGET) str ¶
C++: core::pack::task::TARGET::get_name() –> std::string
- initialize_from_tokens(self: pyrosetta.rosetta.core.pack.task.TARGET, tokens: pyrosetta.rosetta.utility.vector1_std_string, which_token: int, resid: int) None ¶
C++: core::pack::task::TARGET::initialize_from_tokens(const class utility::vector1<std::string, class std::allocator<std::string > > &, unsigned long &, unsigned long) –> void
- static name() str ¶
C++: core::pack::task::TARGET::name() –> std::string
- class pyrosetta.rosetta.core.pack.task.TaskFactory¶
Bases:
pybind11_object
Factory class for the creation and initialization of PackerTask objects
- assign(self: pyrosetta.rosetta.core.pack.task.TaskFactory, : pyrosetta.rosetta.core.pack.task.TaskFactory) pyrosetta.rosetta.core.pack.task.TaskFactory ¶
C++: core::pack::task::TaskFactory::operator=(const class core::pack::task::TaskFactory &) –> class core::pack::task::TaskFactory &
- clear(self: pyrosetta.rosetta.core.pack.task.TaskFactory) None ¶
Empties the list of TaskOperations and clears the PackerPalette, replacing it with a new DefaultPackerPalette.
C++: core::pack::task::TaskFactory::clear() –> void
- clone(self: pyrosetta.rosetta.core.pack.task.TaskFactory) pyrosetta.rosetta.core.pack.task.TaskFactory ¶
C++: core::pack::task::TaskFactory::clone() const –> class std::shared_ptr<class core::pack::task::TaskFactory>
- static create_packer_task(*args, **kwargs)¶
Overloaded function.
create_packer_task(pose: pyrosetta.rosetta.core.pose.Pose) -> pyrosetta.rosetta.core.pack.task.PackerTask
create_packer_task(pose: pyrosetta.rosetta.core.pose.Pose, ig_threads_to_request: int) -> pyrosetta.rosetta.core.pack.task.PackerTask
Static construction of a task
Returns a new PackerTask with NO TaskOperations or PackerPalette applied.
C++: core::pack::task::TaskFactory::create_packer_task(const class core::pose::Pose &, const unsigned long) –> class std::shared_ptr<class core::pack::task::PackerTask>
create_packer_task(pose: pyrosetta.rosetta.core.pose.Pose, palette: pyrosetta.rosetta.core.pack.palette.PackerPalette) -> pyrosetta.rosetta.core.pack.task.PackerTask
create_packer_task(pose: pyrosetta.rosetta.core.pose.Pose, palette: pyrosetta.rosetta.core.pack.palette.PackerPalette, ig_threads_to_request: int) -> pyrosetta.rosetta.core.pack.task.PackerTask
Static construction of a task
Returns a new PackerTask with NO TaskOperations, and with a supplied PackerPalette (used directly – not cloned on input).
Vikram K. Mulligan (vmulligan.org).
C++: core::pack::task::TaskFactory::create_packer_task(const class core::pose::Pose &, class std::shared_ptr<const class core::pack::palette::PackerPalette>, const unsigned long) –> class std::shared_ptr<class core::pack::task::PackerTask>
- create_task_and_apply_taskoperations(*args, **kwargs)¶
Overloaded function.
create_task_and_apply_taskoperations(self: pyrosetta.rosetta.core.pack.task.TaskFactory, pose: pyrosetta.rosetta.core.pose.Pose) -> pyrosetta.rosetta.core.pack.task.PackerTask
create_task_and_apply_taskoperations(self: pyrosetta.rosetta.core.pack.task.TaskFactory, pose: pyrosetta.rosetta.core.pose.Pose, ig_threads_to_request: int) -> pyrosetta.rosetta.core.pack.task.PackerTask
Non static version.
C++: core::pack::task::TaskFactory::create_task_and_apply_taskoperations(const class core::pose::Pose &, const unsigned long) const –> class std::shared_ptr<class core::pack::task::PackerTask>
- has_packer_palette(self: pyrosetta.rosetta.core.pack.task.TaskFactory) bool ¶
Has a PackerPalette been set for this TaskFactory?
C++: core::pack::task::TaskFactory::has_packer_palette() const –> bool
- has_task_operations(self: pyrosetta.rosetta.core.pack.task.TaskFactory) bool ¶
Does this TaskFactory contain TaskOperations?
Returns true if and only if the number of task operations is greater than or equal to one.
C++: core::pack::task::TaskFactory::has_task_operations() const –> bool
- modify_task(self: pyrosetta.rosetta.core.pack.task.TaskFactory, pose: pyrosetta.rosetta.core.pose.Pose, task: pyrosetta.rosetta.core.pack.task.PackerTask) None ¶
Apply each of the TaskOperations in the TaskFactory list to the PackerTask to set it up.
Must be called AFTER PackerTask initialization. An uninitialized PackerTask that is modified will throw an error.
C++: core::pack::task::TaskFactory::modify_task(const class core::pose::Pose &, class std::shared_ptr<class core::pack::task::PackerTask>) const –> void
- n_task_operations(self: pyrosetta.rosetta.core.pack.task.TaskFactory) int ¶
How many TaskOperations does this TaskFactory contain?
C++: core::pack::task::TaskFactory::n_task_operations() const –> unsigned long
- packer_palette(self: pyrosetta.rosetta.core.pack.task.TaskFactory) pyrosetta.rosetta.core.pack.palette.PackerPalette ¶
Access the PackerPalette (const-access only).
C++: core::pack::task::TaskFactory::packer_palette() const –> class std::shared_ptr<const class core::pack::palette::PackerPalette>
- push_back(self: pyrosetta.rosetta.core.pack.task.TaskFactory, : pyrosetta.rosetta.core.pack.task.operation.TaskOperation) None ¶
clones the input task, and pushes it back into the list
C++: core::pack::task::TaskFactory::push_back(class std::shared_ptr<class core::pack::task::operation::TaskOperation>) –> void
- set_packer_palette(self: pyrosetta.rosetta.core.pack.task.TaskFactory, packer_palette_in: pyrosetta.rosetta.core.pack.palette.PackerPalette) None ¶
Clones the input PackerPalette, and sets it as the PackerPalette for this TaskFactory.
Vikram K. Mulligan (vmullig.edu)
C++: core::pack::task::TaskFactory::set_packer_palette(class std::shared_ptr<const class core::pack::palette::PackerPalette>) –> void
- size(self: pyrosetta.rosetta.core.pack.task.TaskFactory) int ¶
return the size of the operations_ list
C++: core::pack::task::TaskFactory::size() const –> unsigned long
- class pyrosetta.rosetta.core.pack.task.USE_INPUT_SC¶
Bases:
ResfileCommand
USE_INPUT_SC turns on inclusion of the current rotamer for the packer
- assign(self: pyrosetta.rosetta.core.pack.task.USE_INPUT_SC, : pyrosetta.rosetta.core.pack.task.USE_INPUT_SC) pyrosetta.rosetta.core.pack.task.USE_INPUT_SC ¶
C++: core::pack::task::USE_INPUT_SC::operator=(const class core::pack::task::USE_INPUT_SC &) –> class core::pack::task::USE_INPUT_SC &
- clone(self: pyrosetta.rosetta.core.pack.task.USE_INPUT_SC) pyrosetta.rosetta.core.pack.task.ResfileCommand ¶
C++: core::pack::task::USE_INPUT_SC::clone() const –> class std::shared_ptr<class core::pack::task::ResfileCommand>
- get_name(self: pyrosetta.rosetta.core.pack.task.USE_INPUT_SC) str ¶
C++: core::pack::task::USE_INPUT_SC::get_name() –> std::string
- initialize_from_tokens(self: pyrosetta.rosetta.core.pack.task.USE_INPUT_SC, tokens: pyrosetta.rosetta.utility.vector1_std_string, which_token: int, resid: int) None ¶
C++: core::pack::task::USE_INPUT_SC::initialize_from_tokens(const class utility::vector1<std::string, class std::allocator<std::string > > &, unsigned long &, unsigned long) –> void
- static name() str ¶
C++: core::pack::task::USE_INPUT_SC::name() –> std::string
- pyrosetta.rosetta.core.pack.task.attributes_for_parse_task_operations(*args, **kwargs)¶
Overloaded function.
attributes_for_parse_task_operations(attributes: pyrosetta.rosetta.std.list_utility_tag_XMLSchemaAttribute_t) -> None
attributes_for_parse_task_operations(attributes: pyrosetta.rosetta.std.list_utility_tag_XMLSchemaAttribute_t, description: str) -> None
attributes_for_parse_task_operations(attributes: pyrosetta.rosetta.std.list_utility_tag_XMLSchemaAttribute_t, description: str, packerpalette_description: str) -> None
Append the ‘task_operation’ attribute.
“description” can be used to specify for what the TaskOperations are being used for.
C++: core::pack::task::attributes_for_parse_task_operations(class std::list<class utility::tag::XMLSchemaAttribute, class std::allocator<class utility::tag::XMLSchemaAttribute> > &, const std::string &, const std::string &) –> void
- pyrosetta.rosetta.core.pack.task.attributes_for_parse_task_operations_w_factory(*args, **kwargs)¶
Overloaded function.
attributes_for_parse_task_operations_w_factory(attributes: pyrosetta.rosetta.std.list_utility_tag_XMLSchemaAttribute_t) -> None
attributes_for_parse_task_operations_w_factory(attributes: pyrosetta.rosetta.std.list_utility_tag_XMLSchemaAttribute_t, used_for_descr: str) -> None
Append the ‘task_operation’ and ‘task_factory’ attributes.
C++: core::pack::task::attributes_for_parse_task_operations_w_factory(class std::list<class utility::tag::XMLSchemaAttribute, class std::allocator<class utility::tag::XMLSchemaAttribute> > &, const std::string &) –> void
- pyrosetta.rosetta.core.pack.task.comment_begin(tokens: pyrosetta.rosetta.utility.vector1_std_string, which_token: int) bool ¶
utility function for resfile reader (checks for a leading # signaling a comment)
C++: core::pack::task::comment_begin(const class utility::vector1<std::string, class std::allocator<std::string > > &, unsigned long) –> bool
- pyrosetta.rosetta.core.pack.task.create_command_map() pyrosetta.rosetta.std.map_std_string_std_shared_ptr_core_pack_task_ResfileCommand_t_std_allocator_std_pair_const_std_string_std_shared_ptr_core_pack_task_ResfileCommand_t ¶
utility for resfile reader, commands MUST be entered into this hard-coded map
C++: core::pack::task::create_command_map() –> class std::map<std::string, class std::shared_ptr<class core::pack::task::ResfileCommand>, struct std::less<std::string >, class std::allocator<struct std::pair<const std::string, class std::shared_ptr<class core::pack::task::ResfileCommand> > > >
- pyrosetta.rosetta.core.pack.task.get_resfile_commands(motif: str) pyrosetta.rosetta.utility.vector1_utility_vector1_std_shared_ptr_core_pack_task_ResfileCommand_std_allocator_std_shared_ptr_core_pack_task_ResfileCommand_t ¶
- Take a Design Sequence Motif (like a simple version of a resfile), and parse into a list of ResfileCommands.
These commands can then be used to do whatever you want with, including non-canonicals.
This is used in the CreateSequenceMotifMover and the SequenceMotifTaskOperation interfaces.
This is slightly similar to a regex, but not quite. We are not matching a sequence, we are designing in a motif regardless of the current sequence, anywhere in a protein.
Each letter corresponds to a position. Using [ ] indicates a more complicated expression for that position.
An X indicates it can be anything, and that we are designing here.
An AA Letter, like V, indicates that that position will be designed to a V.
A - charactor indicates that that position stays with whatever it is currently. We essentially skip this position.
An expression like: [^PAV] indicates that we will design anything except Proline, Alanine, and Valine
An expression like: [NTS] indicates that that position can be Asparigine, Threonine, or Serine and only of these will be enabled during the design.
- RESFILE commands are accepted as well.
These require a % Charactor to start the whole line off. For example [%POLAR] is totally cool, as is [%PIKAA ST].
(Non-canonical, DNA, RNA, etc. should all work here!!)
- EXAMPLE:
Glycosylation N-Linked motif design: N[^P][ST]
C++: core::pack::task::get_resfile_commands(const std::string &) –> class utility::vector1<class utility::vector1<class std::shared_ptr<class core::pack::task::ResfileCommand>, class std::allocator<class std::shared_ptr<class core::pack::task::ResfileCommand> > >, class std::allocator<class utility::vector1<class std::shared_ptr<class core::pack::task::ResfileCommand>, class std::allocator<class std::shared_ptr<class core::pack::task::ResfileCommand> > > > >
- pyrosetta.rosetta.core.pack.task.get_task_operations(tag: pyrosetta.rosetta.utility.tag.Tag, data: pyrosetta.rosetta.basic.datacache.DataMap) pyrosetta.rosetta.utility.vector1_std_shared_ptr_core_pack_task_operation_TaskOperation_t ¶
Return a list of the task operations referenced in the given tag.
C++: core::pack::task::get_task_operations(class std::shared_ptr<const class utility::tag::Tag>, const class basic::datacache::DataMap &) –> class utility::vector1<class std::shared_ptr<class core::pack::task::operation::TaskOperation>, class std::allocator<class std::shared_ptr<class core::pack::task::operation::TaskOperation> > >
- pyrosetta.rosetta.core.pack.task.get_token(*args, **kwargs)¶
Overloaded function.
get_token(which_token: int, tokens: pyrosetta.rosetta.utility.vector1_std_string) -> str
get_token(which_token: int, tokens: pyrosetta.rosetta.utility.vector1_std_string, make_upper_case: bool) -> str
utility function to increment next token to be parsed
C++: core::pack::task::get_token(const unsigned long, const class utility::vector1<std::string, class std::allocator<std::string > > &, const bool) –> std::string
- pyrosetta.rosetta.core.pack.task.is_rot_sample_name(name: str) bool ¶
C++: core::pack::task::is_rot_sample_name(const std::string &) –> bool
- pyrosetta.rosetta.core.pack.task.onError(message: str) None ¶
C++: core::pack::task::onError(std::string) –> void
- pyrosetta.rosetta.core.pack.task.parse_res_agnostic_commands(line: str, command_map: pyrosetta.rosetta.std.map_std_string_std_shared_ptr_core_pack_task_ResfileCommand_t_std_allocator_std_pair_const_std_string_std_shared_ptr_core_pack_task_ResfileCommand_t) pyrosetta.rosetta.utility.vector1_std_shared_ptr_core_pack_task_ResfileCommand_t ¶
- Parse a command line that is residue agnostic and has no residue information.
IE “PIKAA ST” or [EMPTY NC xxx NC xxx]
C++: core::pack::task::parse_res_agnostic_commands(const std::string &, const class std::map<std::string, class std::shared_ptr<class core::pack::task::ResfileCommand>, struct std::less<std::string >, class std::allocator<struct std::pair<const std::string, class std::shared_ptr<class core::pack::task::ResfileCommand> > > > &) –> class utility::vector1<class std::shared_ptr<class core::pack::task::ResfileCommand>, class std::allocator<class std::shared_ptr<class core::pack::task::ResfileCommand> > >
- pyrosetta.rosetta.core.pack.task.parse_resfile(*args, **kwargs)¶
Overloaded function.
parse_resfile(pose: pyrosetta.rosetta.core.pose.Pose, the_task: pyrosetta.rosetta.core.pack.task.PackerTask) -> None
changes the state of the given PackerTask according to the commands in the resfile at read in from the -pack:resfile option system.
C++: core::pack::task::parse_resfile(const class core::pose::Pose &, class core::pack::task::PackerTask &) –> void
parse_resfile(pose: pyrosetta.rosetta.core.pose.Pose, the_task: pyrosetta.rosetta.core.pack.task.PackerTask, filename: str) -> None
changes the state of the given PackerTask according to the commands in the resfile at filename
C++: core::pack::task::parse_resfile(const class core::pose::Pose &, class core::pack::task::PackerTask &, const std::string &) –> void
- pyrosetta.rosetta.core.pack.task.parse_resfile_string(*args, **kwargs)¶
Overloaded function.
parse_resfile_string(pose: pyrosetta.rosetta.core.pose.Pose, the_task: pyrosetta.rosetta.core.pack.task.PackerTask, resfile_fname: str, resfile_string: str) -> None
changes the state of the given PackerTask according to the commands in the resfile.
This version calls the overloaded parse_resfile_string and just passes it a ResidueSubset that’s set to “true” for every residue of the pose.
C++: core::pack::task::parse_resfile_string(const class core::pose::Pose &, class core::pack::task::PackerTask &, const std::string &, const std::string &) –> void
parse_resfile_string(pose: pyrosetta.rosetta.core.pose.Pose, the_task: pyrosetta.rosetta.core.pack.task.PackerTask, resfile_fname: str, resfile_string: str, mask: pyrosetta.rosetta.utility.vector1_bool) -> None
changes the state of the given PackerTask according to the commands in the resfile.
This version accepts a ResidueSubset (a utility::vector1<bool>) that serves as a mask. Residues set to “false” don’t have their packer behaviour altered by this TaskOperation.
C++: core::pack::task::parse_resfile_string(const class core::pose::Pose &, class core::pack::task::PackerTask &, const std::string &, const std::string &, const class utility::vector1<bool, class std::allocator<bool> > &) –> void
- pyrosetta.rosetta.core.pack.task.parse_task_operations(*args, **kwargs)¶
Overloaded function.
parse_task_operations(tag: pyrosetta.rosetta.utility.tag.Tag, data: pyrosetta.rosetta.basic.datacache.DataMap) -> pyrosetta.rosetta.core.pack.task.TaskFactory
- Construct a TaskFactory from the task operations referenced in the
given tag.
C++: core::pack::task::parse_task_operations(class std::shared_ptr<const class utility::tag::Tag>, const class basic::datacache::DataMap &) –> class std::shared_ptr<class core::pack::task::TaskFactory>
parse_task_operations(task_list: str, data: pyrosetta.rosetta.basic.datacache.DataMap) -> pyrosetta.rosetta.core.pack.task.TaskFactory
- Construct a task factory from the task operations referenced in the
given comma-separated list of names.
C++: core::pack::task::parse_task_operations(const std::string &, const class basic::datacache::DataMap &) –> class std::shared_ptr<class core::pack::task::TaskFactory>
parse_task_operations(tag: pyrosetta.rosetta.utility.tag.Tag, data: pyrosetta.rosetta.basic.datacache.DataMap, task_factory: pyrosetta.rosetta.core.pack.task.TaskFactory) -> pyrosetta.rosetta.core.pack.task.TaskFactory
- Construct a TaskFactory by adding the task operations referenced in
the given tag to a task factory already present in the data map.
This allows the transfer of whole task factories on the data map. This way a “base” task factory can be created, transferred on the data map, and individual mover’s specific task operations can be added on top.
C++: core::pack::task::parse_task_operations(class std::shared_ptr<const class utility::tag::Tag>, class basic::datacache::DataMap &, class std::shared_ptr<class core::pack::task::TaskFactory> &) –> class std::shared_ptr<class core::pack::task::TaskFactory>
- pyrosetta.rosetta.core.pack.task.rot_sample_from_name(name: str) pyrosetta.rosetta.core.pack.task.ExtraRotSample ¶
C++: core::pack::task::rot_sample_from_name(const std::string &) –> enum core::pack::task::ExtraRotSample
- pyrosetta.rosetta.core.pack.task.set_up_packer_palette(tag: pyrosetta.rosetta.utility.tag.Tag, data: pyrosetta.rosetta.basic.datacache.DataMap, task_factory: pyrosetta.rosetta.core.pack.task.TaskFactory) None ¶
Parse a “packer_palette” tag from XML, and add a PackerPalette to a TaskFactory.
Added as part of the 2016 Chemical XRW (eXtreme Rosetta Workshop), New Brunswick, NJ, 25 January 2016 to 1 February 2016.
Const owning pointer to an XML tag that may or may not contain a single “packer_palette=xxx” string.
Const reference to the data map, from which defined PackerPalettes will be sought.
Non-const owning pointer to the task_factory that will have a PackerPalette added to it.
Vikram K. Mulligan (vmullig.edu)
Moved to core on 7 Nov. 2018 by VKM, vmulligan.org.
C++: core::pack::task::set_up_packer_palette(class std::shared_ptr<const class utility::tag::Tag>, const class basic::datacache::DataMap &, class std::shared_ptr<class core::pack::task::TaskFactory> &) –> void
- pyrosetta.rosetta.core.pack.task.tokenize_line(*args, **kwargs)¶
Overloaded function.
tokenize_line(inputstream: pyrosetta.rosetta.std.istream) -> pyrosetta.rosetta.utility.vector1_std_string
- Split the line into vector of strings.
Each separated string is a ‘token’
C++: core::pack::task::tokenize_line(std::istream &) –> class utility::vector1<std::string, class std::allocator<std::string > >
tokenize_line(line: str) -> pyrosetta.rosetta.utility.vector1_std_string
- Split the line into vector of strings.
Each separated string is a ‘token’
C++: core::pack::task::tokenize_line(const std::string &) –> class utility::vector1<std::string, class std::allocator<std::string > >