topology¶
Bindings for protocols::fldsgn::topology namespace
- class pyrosetta.rosetta.protocols.fldsgn.topology.BB_Pos¶
Bases:
pybind11_object
- C(self: pyrosetta.rosetta.protocols.fldsgn.topology.BB_Pos, i: int) pyrosetta.rosetta.numeric.xyzVector_double_t ¶
accessor for C’s coordinate on residue i, requires take_coordinates_from_pose have been recently called.
C++: protocols::fldsgn::topology::BB_Pos::C(const unsigned long) const –> const class numeric::xyzVector<double> &
- CA(self: pyrosetta.rosetta.protocols.fldsgn.topology.BB_Pos, i: int) pyrosetta.rosetta.numeric.xyzVector_double_t ¶
accessor for CA’s coordinate on residue i, requires take_coordinates_from_pose have been recently called.
C++: protocols::fldsgn::topology::BB_Pos::CA(const unsigned long) const –> const class numeric::xyzVector<double> &
- CB(self: pyrosetta.rosetta.protocols.fldsgn.topology.BB_Pos, i: int) pyrosetta.rosetta.numeric.xyzVector_double_t ¶
accessor for CB’s coordinate on residue i, requires take_coordinates_from_pose have been recently called.
C++: protocols::fldsgn::topology::BB_Pos::CB(const unsigned long) const –> const class numeric::xyzVector<double> &
- N(self: pyrosetta.rosetta.protocols.fldsgn.topology.BB_Pos, i: int) pyrosetta.rosetta.numeric.xyzVector_double_t ¶
accessor for N’s coordinate on residue i, requires take_coordinates_from_pose have been recently called.
C++: protocols::fldsgn::topology::BB_Pos::N(const unsigned long) const –> const class numeric::xyzVector<double> &
- O(self: pyrosetta.rosetta.protocols.fldsgn.topology.BB_Pos, i: int) pyrosetta.rosetta.numeric.xyzVector_double_t ¶
accessor for O’s coordinate on residue i, requires take_coordinates_from_pose have been recently called.
C++: protocols::fldsgn::topology::BB_Pos::O(const unsigned long) const –> const class numeric::xyzVector<double> &
- assign(self: pyrosetta.rosetta.protocols.fldsgn.topology.BB_Pos, : pyrosetta.rosetta.protocols.fldsgn.topology.BB_Pos) pyrosetta.rosetta.protocols.fldsgn.topology.BB_Pos ¶
C++: protocols::fldsgn::topology::BB_Pos::operator=(const class protocols::fldsgn::topology::BB_Pos &) –> class protocols::fldsgn::topology::BB_Pos &
- clear(self: pyrosetta.rosetta.protocols.fldsgn.topology.BB_Pos) None ¶
C++: protocols::fldsgn::topology::BB_Pos::clear() –> void
- resize(self: pyrosetta.rosetta.protocols.fldsgn.topology.BB_Pos, nres: int) None ¶
C++: protocols::fldsgn::topology::BB_Pos::resize(const unsigned long) –> void
- size(self: pyrosetta.rosetta.protocols.fldsgn.topology.BB_Pos) int ¶
@
C++: protocols::fldsgn::topology::BB_Pos::size() const –> unsigned long
- take_coordinates_from_pose(self: pyrosetta.rosetta.protocols.fldsgn.topology.BB_Pos, pose: pyrosetta.rosetta.core.pose.Pose) None ¶
C++: protocols::fldsgn::topology::BB_Pos::take_coordinates_from_pose(const class core::pose::Pose &) –> void
- class pyrosetta.rosetta.protocols.fldsgn.topology.BetaAlphaBetaMotif¶
Bases:
pybind11_object
- assign(self: pyrosetta.rosetta.protocols.fldsgn.topology.BetaAlphaBetaMotif, : pyrosetta.rosetta.protocols.fldsgn.topology.BetaAlphaBetaMotif) pyrosetta.rosetta.protocols.fldsgn.topology.BetaAlphaBetaMotif ¶
C++: protocols::fldsgn::topology::BetaAlphaBetaMotif::operator=(const class protocols::fldsgn::topology::BetaAlphaBetaMotif &) –> class protocols::fldsgn::topology::BetaAlphaBetaMotif &
- calc_geometry(self: pyrosetta.rosetta.protocols.fldsgn.topology.BetaAlphaBetaMotif, ssinfo: pyrosetta.rosetta.protocols.fldsgn.topology.SS_Info2, sheet_set: protocols::fldsgn::topology::SheetSet) None ¶
C++: protocols::fldsgn::topology::BetaAlphaBetaMotif::calc_geometry(const class std::shared_ptr<const class protocols::fldsgn::topology::SS_Info2>, const class std::shared_ptr<const class protocols::fldsgn::topology::SheetSet>) –> void
- calc_inout(self: pyrosetta.rosetta.protocols.fldsgn.topology.BetaAlphaBetaMotif, ssinfo: pyrosetta.rosetta.protocols.fldsgn.topology.SS_Info2, resi: int) int ¶
C++: protocols::fldsgn::topology::BetaAlphaBetaMotif::calc_inout(const class std::shared_ptr<const class protocols::fldsgn::topology::SS_Info2>, const unsigned long) const –> unsigned long
- cross_over(self: pyrosetta.rosetta.protocols.fldsgn.topology.BetaAlphaBetaMotif) int ¶
C++: protocols::fldsgn::topology::BetaAlphaBetaMotif::cross_over() const –> unsigned long
- helix(self: pyrosetta.rosetta.protocols.fldsgn.topology.BetaAlphaBetaMotif) int ¶
C++: protocols::fldsgn::topology::BetaAlphaBetaMotif::helix() const –> unsigned long
- helix_cycle(self: pyrosetta.rosetta.protocols.fldsgn.topology.BetaAlphaBetaMotif) pyrosetta.rosetta.utility.vector1_unsigned_long ¶
C++: protocols::fldsgn::topology::BetaAlphaBetaMotif::helix_cycle() const –> class utility::vector1<unsigned long, class std::allocator<unsigned long> >
- helix_cycle_as_string(self: pyrosetta.rosetta.protocols.fldsgn.topology.BetaAlphaBetaMotif) str ¶
C++: protocols::fldsgn::topology::BetaAlphaBetaMotif::helix_cycle_as_string() const –> std::string
- hs1_dist(self: pyrosetta.rosetta.protocols.fldsgn.topology.BetaAlphaBetaMotif) float ¶
C++: protocols::fldsgn::topology::BetaAlphaBetaMotif::hs1_dist() const –> double
- hs2_dist(self: pyrosetta.rosetta.protocols.fldsgn.topology.BetaAlphaBetaMotif) float ¶
C++: protocols::fldsgn::topology::BetaAlphaBetaMotif::hs2_dist() const –> double
- hs_angle(self: pyrosetta.rosetta.protocols.fldsgn.topology.BetaAlphaBetaMotif) float ¶
C++: protocols::fldsgn::topology::BetaAlphaBetaMotif::hs_angle() const –> double
- hsheet_dist(self: pyrosetta.rosetta.protocols.fldsgn.topology.BetaAlphaBetaMotif) float ¶
C++: protocols::fldsgn::topology::BetaAlphaBetaMotif::hsheet_dist() const –> double
- hsheet_elev_angle(self: pyrosetta.rosetta.protocols.fldsgn.topology.BetaAlphaBetaMotif) float ¶
C++: protocols::fldsgn::topology::BetaAlphaBetaMotif::hsheet_elev_angle() const –> double
- is_lefthanded(self: pyrosetta.rosetta.protocols.fldsgn.topology.BetaAlphaBetaMotif) bool ¶
C++: protocols::fldsgn::topology::BetaAlphaBetaMotif::is_lefthanded() const –> bool
- name(self: pyrosetta.rosetta.protocols.fldsgn.topology.BetaAlphaBetaMotif) str ¶
C++: protocols::fldsgn::topology::BetaAlphaBetaMotif::name() const –> std::string
- strand1(self: pyrosetta.rosetta.protocols.fldsgn.topology.BetaAlphaBetaMotif) int ¶
C++: protocols::fldsgn::topology::BetaAlphaBetaMotif::strand1() const –> unsigned long
- strand2(self: pyrosetta.rosetta.protocols.fldsgn.topology.BetaAlphaBetaMotif) int ¶
C++: protocols::fldsgn::topology::BetaAlphaBetaMotif::strand2() const –> unsigned long
- class pyrosetta.rosetta.protocols.fldsgn.topology.BetaAlphaBetaMotifSet¶
Bases:
pybind11_object
- assign(self: pyrosetta.rosetta.protocols.fldsgn.topology.BetaAlphaBetaMotifSet, : pyrosetta.rosetta.protocols.fldsgn.topology.BetaAlphaBetaMotifSet) pyrosetta.rosetta.protocols.fldsgn.topology.BetaAlphaBetaMotifSet ¶
C++: protocols::fldsgn::topology::BetaAlphaBetaMotifSet::operator=(const class protocols::fldsgn::topology::BetaAlphaBetaMotifSet &) –> class protocols::fldsgn::topology::BetaAlphaBetaMotifSet &
- bab_motif(self: pyrosetta.rosetta.protocols.fldsgn.topology.BetaAlphaBetaMotifSet, i: int) pyrosetta.rosetta.protocols.fldsgn.topology.BetaAlphaBetaMotif ¶
C++: protocols::fldsgn::topology::BetaAlphaBetaMotifSet::bab_motif(const unsigned long &) const –> class std::shared_ptr<class protocols::fldsgn::topology::BetaAlphaBetaMotif>
- bab_motifs(self: pyrosetta.rosetta.protocols.fldsgn.topology.BetaAlphaBetaMotifSet) pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_fldsgn_topology_BetaAlphaBetaMotif_t ¶
C++: protocols::fldsgn::topology::BetaAlphaBetaMotifSet::bab_motifs() const –> const class utility::vector1<class std::shared_ptr<class protocols::fldsgn::topology::BetaAlphaBetaMotif>, class std::allocator<class std::shared_ptr<class protocols::fldsgn::topology::BetaAlphaBetaMotif> > > &
- calc_geometry(self: pyrosetta.rosetta.protocols.fldsgn.topology.BetaAlphaBetaMotifSet, ssinfo: pyrosetta.rosetta.protocols.fldsgn.topology.SS_Info2, sheet_set: protocols::fldsgn::topology::SheetSet) None ¶
C++: protocols::fldsgn::topology::BetaAlphaBetaMotifSet::calc_geometry(const class std::shared_ptr<const class protocols::fldsgn::topology::SS_Info2>, const class std::shared_ptr<const class protocols::fldsgn::topology::SheetSet>) –> void
- clear(self: pyrosetta.rosetta.protocols.fldsgn.topology.BetaAlphaBetaMotifSet) None ¶
C++: protocols::fldsgn::topology::BetaAlphaBetaMotifSet::clear() –> void
- push_back(self: pyrosetta.rosetta.protocols.fldsgn.topology.BetaAlphaBetaMotifSet, bop: pyrosetta.rosetta.protocols.fldsgn.topology.BetaAlphaBetaMotif) None ¶
C++: protocols::fldsgn::topology::BetaAlphaBetaMotifSet::push_back(const class std::shared_ptr<class protocols::fldsgn::topology::BetaAlphaBetaMotif>) –> void
- set_babmotifs(self: pyrosetta.rosetta.protocols.fldsgn.topology.BetaAlphaBetaMotifSet, ssinfo: pyrosetta.rosetta.protocols.fldsgn.topology.SS_Info2, sheet_set: protocols::fldsgn::topology::SheetSet) None ¶
C++: protocols::fldsgn::topology::BetaAlphaBetaMotifSet::set_babmotifs(const class std::shared_ptr<const class protocols::fldsgn::topology::SS_Info2>, const class std::shared_ptr<const class protocols::fldsgn::topology::SheetSet>) –> void
- size(self: pyrosetta.rosetta.protocols.fldsgn.topology.BetaAlphaBetaMotifSet) int ¶
C++: protocols::fldsgn::topology::BetaAlphaBetaMotifSet::size() const –> unsigned long
- class pyrosetta.rosetta.protocols.fldsgn.topology.DimerPairing¶
Bases:
pybind11_object
- assign(self: pyrosetta.rosetta.protocols.fldsgn.topology.DimerPairing, : pyrosetta.rosetta.protocols.fldsgn.topology.DimerPairing) pyrosetta.rosetta.protocols.fldsgn.topology.DimerPairing ¶
C++: protocols::fldsgn::topology::DimerPairing::operator=(const class protocols::fldsgn::topology::DimerPairing &) –> class protocols::fldsgn::topology::DimerPairing &
- dist(self: pyrosetta.rosetta.protocols.fldsgn.topology.DimerPairing) float ¶
C++: protocols::fldsgn::topology::DimerPairing::dist() const –> double
- dp(self: pyrosetta.rosetta.protocols.fldsgn.topology.DimerPairing) float ¶
C++: protocols::fldsgn::topology::DimerPairing::dp() const –> double
- is_parallel(self: pyrosetta.rosetta.protocols.fldsgn.topology.DimerPairing, phi: float, theta: float) bool ¶
C++: protocols::fldsgn::topology::DimerPairing::is_parallel(const double, const double) –> bool
- orient(self: pyrosetta.rosetta.protocols.fldsgn.topology.DimerPairing) str ¶
C++: protocols::fldsgn::topology::DimerPairing::orient() const –> char
- phi(self: pyrosetta.rosetta.protocols.fldsgn.topology.DimerPairing) float ¶
C++: protocols::fldsgn::topology::DimerPairing::phi() const –> double
- res1(self: pyrosetta.rosetta.protocols.fldsgn.topology.DimerPairing) int ¶
C++: protocols::fldsgn::topology::DimerPairing::res1() const –> unsigned long
- res2(self: pyrosetta.rosetta.protocols.fldsgn.topology.DimerPairing) int ¶
C++: protocols::fldsgn::topology::DimerPairing::res2() const –> unsigned long
- score(self: pyrosetta.rosetta.protocols.fldsgn.topology.DimerPairing) float ¶
C++: protocols::fldsgn::topology::DimerPairing::score() const –> double
- sigma(self: pyrosetta.rosetta.protocols.fldsgn.topology.DimerPairing) float ¶
C++: protocols::fldsgn::topology::DimerPairing::sigma() const –> double
- sign1(self: pyrosetta.rosetta.protocols.fldsgn.topology.DimerPairing) int ¶
C++: protocols::fldsgn::topology::DimerPairing::sign1() const –> unsigned long
- sign2(self: pyrosetta.rosetta.protocols.fldsgn.topology.DimerPairing) int ¶
C++: protocols::fldsgn::topology::DimerPairing::sign2() const –> unsigned long
- theta(self: pyrosetta.rosetta.protocols.fldsgn.topology.DimerPairing) float ¶
C++: protocols::fldsgn::topology::DimerPairing::theta() const –> double
- valid(*args, **kwargs)¶
Overloaded function.
valid(self: pyrosetta.rosetta.protocols.fldsgn.topology.DimerPairing) -> bool
C++: protocols::fldsgn::topology::DimerPairing::valid() const –> bool
valid(self: pyrosetta.rosetta.protocols.fldsgn.topology.DimerPairing, v: bool) -> None
C++: protocols::fldsgn::topology::DimerPairing::valid(const bool) –> void
- class pyrosetta.rosetta.protocols.fldsgn.topology.DimerPairings¶
Bases:
vector1_std_shared_ptr_protocols_fldsgn_topology_DimerPairing_t
- append(self: pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_fldsgn_topology_DimerPairing_t, arg0: protocols::fldsgn::topology::DimerPairing) None ¶
adds an element to the end
- assign(self: pyrosetta.rosetta.protocols.fldsgn.topology.DimerPairings, : pyrosetta.rosetta.protocols.fldsgn.topology.DimerPairings) pyrosetta.rosetta.protocols.fldsgn.topology.DimerPairings ¶
C++: protocols::fldsgn::topology::DimerPairings::operator=(const class protocols::fldsgn::topology::DimerPairings &) –> class protocols::fldsgn::topology::DimerPairings &
- back(self: pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_fldsgn_topology_DimerPairing_t) protocols::fldsgn::topology::DimerPairing ¶
access the last element
- capacity(self: pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_fldsgn_topology_DimerPairing_t) int ¶
returns the number of elements that can be held in currently allocated storage
- clear(self: pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_fldsgn_topology_DimerPairing_t) None ¶
clears the contents
- count(self: pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_fldsgn_topology_DimerPairing_t, arg0: protocols::fldsgn::topology::DimerPairing) int ¶
counts the elements that are equal to value
- erase(self: pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_fldsgn_topology_DimerPairing_t, arg0: int) None ¶
erases element at index
- extend(othervec)¶
- finalize(self: pyrosetta.rosetta.protocols.fldsgn.topology.DimerPairings, ss_info: pyrosetta.rosetta.protocols.fldsgn.topology.SS_Info2) None ¶
C++: protocols::fldsgn::topology::DimerPairings::finalize(const class protocols::fldsgn::topology::SS_Info2 &) –> void
- front(self: pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_fldsgn_topology_DimerPairing_t) protocols::fldsgn::topology::DimerPairing ¶
access the first element
- l(self: pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_fldsgn_topology_DimerPairing_t) int ¶
lower index
- max_size(self: pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_fldsgn_topology_DimerPairing_t) int ¶
returns the maximum possible number of elements
- pop(*args, **kwargs)¶
Overloaded function.
pop(self: pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_fldsgn_topology_DimerPairing_t) -> protocols::fldsgn::topology::DimerPairing
remove and return last item
pop(self: pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_fldsgn_topology_DimerPairing_t, arg0: int) -> protocols::fldsgn::topology::DimerPairing
remove and return item at index
- remove(self: pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_fldsgn_topology_DimerPairing_t, arg0: protocols::fldsgn::topology::DimerPairing) None ¶
Remove the first item from the list whose value is x. It is an error if there is no such item.
- reserve(self: pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_fldsgn_topology_DimerPairing_t, arg0: int) None ¶
reserves storage
- resize(self: pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_fldsgn_topology_DimerPairing_t, arg0: int) None ¶
changes the number of elements stored
- shrink_to_fit(self: pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_fldsgn_topology_DimerPairing_t) None ¶
reduces memory usage by freeing unused memory
- u(self: pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_fldsgn_topology_DimerPairing_t) int ¶
upper index
- class pyrosetta.rosetta.protocols.fldsgn.topology.HSSTriplet¶
Bases:
pybind11_object
- assign(self: pyrosetta.rosetta.protocols.fldsgn.topology.HSSTriplet, : pyrosetta.rosetta.protocols.fldsgn.topology.HSSTriplet) pyrosetta.rosetta.protocols.fldsgn.topology.HSSTriplet ¶
C++: protocols::fldsgn::topology::HSSTriplet::operator=(const class protocols::fldsgn::topology::HSSTriplet &) –> class protocols::fldsgn::topology::HSSTriplet &
- calc_geometry(self: pyrosetta.rosetta.protocols.fldsgn.topology.HSSTriplet, ssinfo: protocols::fldsgn::topology::SS_Info2) None ¶
C++: protocols::fldsgn::topology::HSSTriplet::calc_geometry(const class std::shared_ptr<const class protocols::fldsgn::topology::SS_Info2>) –> void
- geometry_is_initialized(self: pyrosetta.rosetta.protocols.fldsgn.topology.HSSTriplet) bool ¶
geometry is initialized or not
C++: protocols::fldsgn::topology::HSSTriplet::geometry_is_initialized() const –> bool
- helix(self: pyrosetta.rosetta.protocols.fldsgn.topology.HSSTriplet) int ¶
C++: protocols::fldsgn::topology::HSSTriplet::helix() const –> unsigned long
- hs1_dist(self: pyrosetta.rosetta.protocols.fldsgn.topology.HSSTriplet) float ¶
distance between mid helix and midpoint of 1st strand
C++: protocols::fldsgn::topology::HSSTriplet::hs1_dist() const –> double
- hs1_orient(self: pyrosetta.rosetta.protocols.fldsgn.topology.HSSTriplet) str ¶
orientation between helix and 1st strand
C++: protocols::fldsgn::topology::HSSTriplet::hs1_orient() const –> std::string
- hs2_dist(self: pyrosetta.rosetta.protocols.fldsgn.topology.HSSTriplet) float ¶
distance between mid helix and midpoint of 2nd strand
C++: protocols::fldsgn::topology::HSSTriplet::hs2_dist() const –> double
- hs2_orient(self: pyrosetta.rosetta.protocols.fldsgn.topology.HSSTriplet) str ¶
orientation between helix and 2nd strand
C++: protocols::fldsgn::topology::HSSTriplet::hs2_orient() const –> std::string
- hs_angle(self: pyrosetta.rosetta.protocols.fldsgn.topology.HSSTriplet) float ¶
return distance between sheet ( defined by the 2 strands ) and helix
C++: protocols::fldsgn::topology::HSSTriplet::hs_angle() const –> double
- hsheet_dist(self: pyrosetta.rosetta.protocols.fldsgn.topology.HSSTriplet) float ¶
reutrn distance between sheet ( defined by the 2 strands ) and helix
C++: protocols::fldsgn::topology::HSSTriplet::hsheet_dist() const –> double
- left_handed(self: pyrosetta.rosetta.protocols.fldsgn.topology.HSSTriplet) bool ¶
hsstriplet is left handed or not
C++: protocols::fldsgn::topology::HSSTriplet::left_handed() const –> bool
- ss_dist(self: pyrosetta.rosetta.protocols.fldsgn.topology.HSSTriplet) float ¶
distance between midpoints of strands
C++: protocols::fldsgn::topology::HSSTriplet::ss_dist() const –> double
- ss_orient(self: pyrosetta.rosetta.protocols.fldsgn.topology.HSSTriplet) str ¶
orientation between strands
C++: protocols::fldsgn::topology::HSSTriplet::ss_orient() const –> std::string
- strand1(self: pyrosetta.rosetta.protocols.fldsgn.topology.HSSTriplet) int ¶
C++: protocols::fldsgn::topology::HSSTriplet::strand1() const –> unsigned long
- strand2(self: pyrosetta.rosetta.protocols.fldsgn.topology.HSSTriplet) int ¶
C++: protocols::fldsgn::topology::HSSTriplet::strand2() const –> unsigned long
- class pyrosetta.rosetta.protocols.fldsgn.topology.HSSTripletSet¶
Bases:
pybind11_object
- add_hsstriplets(self: pyrosetta.rosetta.protocols.fldsgn.topology.HSSTripletSet, s: pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_fldsgn_topology_HSSTriplet_t) None ¶
C++: protocols::fldsgn::topology::HSSTripletSet::add_hsstriplets(const class utility::vector1<class std::shared_ptr<class protocols::fldsgn::topology::HSSTriplet>, class std::allocator<class std::shared_ptr<class protocols::fldsgn::topology::HSSTriplet> > > &) –> void
- assign(self: pyrosetta.rosetta.protocols.fldsgn.topology.HSSTripletSet, : pyrosetta.rosetta.protocols.fldsgn.topology.HSSTripletSet) pyrosetta.rosetta.protocols.fldsgn.topology.HSSTripletSet ¶
C++: protocols::fldsgn::topology::HSSTripletSet::operator=(const class protocols::fldsgn::topology::HSSTripletSet &) –> class protocols::fldsgn::topology::HSSTripletSet &
- clear(self: pyrosetta.rosetta.protocols.fldsgn.topology.HSSTripletSet) None ¶
C++: protocols::fldsgn::topology::HSSTripletSet::clear() –> void
- hss_triplet(self: pyrosetta.rosetta.protocols.fldsgn.topology.HSSTripletSet, helix: int, s1: int, s2: int) pyrosetta.rosetta.protocols.fldsgn.topology.HSSTriplet ¶
- returns the Triplet containing given helix, strand1, and strand2
Exits and throws an error if the triplet isn’t found
C++: protocols::fldsgn::topology::HSSTripletSet::hss_triplet(const unsigned long, const unsigned long, const unsigned long) const –> class std::shared_ptr<class protocols::fldsgn::topology::HSSTriplet>
- hss_triplets(*args, **kwargs)¶
Overloaded function.
hss_triplets(self: pyrosetta.rosetta.protocols.fldsgn.topology.HSSTripletSet, helix: int) -> pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_fldsgn_topology_HSSTriplet_t
returns list of Triplets containing given helix
C++: protocols::fldsgn::topology::HSSTripletSet::hss_triplets(const unsigned long) const –> class utility::vector1<class std::shared_ptr<class protocols::fldsgn::topology::HSSTriplet>, class std::allocator<class std::shared_ptr<class protocols::fldsgn::topology::HSSTriplet> > >
hss_triplets(self: pyrosetta.rosetta.protocols.fldsgn.topology.HSSTripletSet) -> pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_fldsgn_topology_HSSTriplet_t
C++: protocols::fldsgn::topology::HSSTripletSet::hss_triplets() const –> const class utility::vector1<class std::shared_ptr<class protocols::fldsgn::topology::HSSTriplet>, class std::allocator<class std::shared_ptr<class protocols::fldsgn::topology::HSSTriplet> > > &
- push_back(self: pyrosetta.rosetta.protocols.fldsgn.topology.HSSTripletSet, hssop: pyrosetta.rosetta.protocols.fldsgn.topology.HSSTriplet) None ¶
C++: protocols::fldsgn::topology::HSSTripletSet::push_back(const class std::shared_ptr<class protocols::fldsgn::topology::HSSTriplet>) –> void
- size(self: pyrosetta.rosetta.protocols.fldsgn.topology.HSSTripletSet) int ¶
return the size of vector of hss_triplets_
C++: protocols::fldsgn::topology::HSSTripletSet::size() const –> unsigned long
- class pyrosetta.rosetta.protocols.fldsgn.topology.Helix¶
Bases:
SS_Base
- Cend_orient(self: pyrosetta.rosetta.protocols.fldsgn.topology.SS_Base) pyrosetta.rosetta.numeric.xyzVector_double_t ¶
C++: protocols::fldsgn::topology::SS_Base::Cend_orient() const –> class numeric::xyzVector<double>
- Cend_pos(self: pyrosetta.rosetta.protocols.fldsgn.topology.SS_Base) pyrosetta.rosetta.numeric.xyzVector_double_t ¶
C++: protocols::fldsgn::topology::SS_Base::Cend_pos() const –> class numeric::xyzVector<double>
- Nend_orient(self: pyrosetta.rosetta.protocols.fldsgn.topology.SS_Base) pyrosetta.rosetta.numeric.xyzVector_double_t ¶
C++: protocols::fldsgn::topology::SS_Base::Nend_orient() const –> class numeric::xyzVector<double>
- Nend_pos(self: pyrosetta.rosetta.protocols.fldsgn.topology.SS_Base) pyrosetta.rosetta.numeric.xyzVector_double_t ¶
C++: protocols::fldsgn::topology::SS_Base::Nend_pos() const –> class numeric::xyzVector<double>
- assign(self: pyrosetta.rosetta.protocols.fldsgn.topology.Helix, : pyrosetta.rosetta.protocols.fldsgn.topology.Helix) pyrosetta.rosetta.protocols.fldsgn.topology.Helix ¶
C++: protocols::fldsgn::topology::Helix::operator=(const class protocols::fldsgn::topology::Helix &) –> class protocols::fldsgn::topology::Helix &
- begin(self: pyrosetta.rosetta.protocols.fldsgn.topology.SS_Base) int ¶
C++: protocols::fldsgn::topology::SS_Base::begin() const –> unsigned long
- bend(self: pyrosetta.rosetta.protocols.fldsgn.topology.Helix) float ¶
C++: protocols::fldsgn::topology::Helix::bend() const –> double
- calc_geometry(self: pyrosetta.rosetta.protocols.fldsgn.topology.Helix, bbpos: pyrosetta.rosetta.protocols.fldsgn.topology.BB_Pos) None ¶
calc geometry of helix
C++: protocols::fldsgn::topology::Helix::calc_geometry(const class protocols::fldsgn::topology::BB_Pos &) –> void
- end(self: pyrosetta.rosetta.protocols.fldsgn.topology.SS_Base) int ¶
C++: protocols::fldsgn::topology::SS_Base::end() const –> unsigned long
- is_geometry_initialized(self: pyrosetta.rosetta.protocols.fldsgn.topology.SS_Base) bool ¶
C++: protocols::fldsgn::topology::SS_Base::is_geometry_initialized() const –> bool
- length(self: pyrosetta.rosetta.protocols.fldsgn.topology.SS_Base) int ¶
C++: protocols::fldsgn::topology::SS_Base::length() const –> unsigned long
- mid_pos(self: pyrosetta.rosetta.protocols.fldsgn.topology.SS_Base) pyrosetta.rosetta.numeric.xyzVector_double_t ¶
C++: protocols::fldsgn::topology::SS_Base::mid_pos() const –> class numeric::xyzVector<double>
- orient(self: pyrosetta.rosetta.protocols.fldsgn.topology.SS_Base) pyrosetta.rosetta.numeric.xyzVector_double_t ¶
C++: protocols::fldsgn::topology::SS_Base::orient() const –> class numeric::xyzVector<double>
- class pyrosetta.rosetta.protocols.fldsgn.topology.HelixPairing¶
Bases:
pybind11_object
- align_angle(self: pyrosetta.rosetta.protocols.fldsgn.topology.HelixPairing) float ¶
helix angle projected on sheet helices belongs to
C++: protocols::fldsgn::topology::HelixPairing::align_angle() const –> double
- assign(self: pyrosetta.rosetta.protocols.fldsgn.topology.HelixPairing, : pyrosetta.rosetta.protocols.fldsgn.topology.HelixPairing) pyrosetta.rosetta.protocols.fldsgn.topology.HelixPairing ¶
C++: protocols::fldsgn::topology::HelixPairing::operator=(const class protocols::fldsgn::topology::HelixPairing &) –> class protocols::fldsgn::topology::HelixPairing &
- calc_geometry(self: pyrosetta.rosetta.protocols.fldsgn.topology.HelixPairing, ss_info: protocols::fldsgn::topology::SS_Info2) None ¶
C++: protocols::fldsgn::topology::HelixPairing::calc_geometry(const class std::shared_ptr<const class protocols::fldsgn::topology::SS_Info2>) –> void
- clone(self: pyrosetta.rosetta.protocols.fldsgn.topology.HelixPairing) pyrosetta.rosetta.protocols.fldsgn.topology.HelixPairing ¶
clone this object
C++: protocols::fldsgn::topology::HelixPairing::clone() –> class std::shared_ptr<class protocols::fldsgn::topology::HelixPairing>
- cross_angle(self: pyrosetta.rosetta.protocols.fldsgn.topology.HelixPairing) float ¶
C++: protocols::fldsgn::topology::HelixPairing::cross_angle() const –> double
- dist(self: pyrosetta.rosetta.protocols.fldsgn.topology.HelixPairing) float ¶
C++: protocols::fldsgn::topology::HelixPairing::dist() const –> double
- h1(self: pyrosetta.rosetta.protocols.fldsgn.topology.HelixPairing) int ¶
the strand number of the 1st strand in strand pairing
C++: protocols::fldsgn::topology::HelixPairing::h1() const –> unsigned long
- h2(self: pyrosetta.rosetta.protocols.fldsgn.topology.HelixPairing) int ¶
the strand number of the 2nd strand in strand pairing
C++: protocols::fldsgn::topology::HelixPairing::h2() const –> unsigned long
- initialize(self: pyrosetta.rosetta.protocols.fldsgn.topology.HelixPairing) None ¶
C++: protocols::fldsgn::topology::HelixPairing::initialize() –> void
- is_parallel(self: pyrosetta.rosetta.protocols.fldsgn.topology.HelixPairing) bool ¶
is parallel
C++: protocols::fldsgn::topology::HelixPairing::is_parallel() const –> bool
- name(self: pyrosetta.rosetta.protocols.fldsgn.topology.HelixPairing) str ¶
- HelixPairing is descripbed as s1()-s2().orient()
For example, 2-3.A means 2nd and 3rd helices make anti-parallel helix_pairing
C++: protocols::fldsgn::topology::HelixPairing::name() const –> std::string
- orient(self: pyrosetta.rosetta.protocols.fldsgn.topology.HelixPairing) str ¶
orientation, parallel or anti-parallel, of helix pairing
C++: protocols::fldsgn::topology::HelixPairing::orient() const –> char
- class pyrosetta.rosetta.protocols.fldsgn.topology.HelixPairingSet¶
Bases:
pybind11_object
- assign(self: pyrosetta.rosetta.protocols.fldsgn.topology.HelixPairingSet, : pyrosetta.rosetta.protocols.fldsgn.topology.HelixPairingSet) pyrosetta.rosetta.protocols.fldsgn.topology.HelixPairingSet ¶
C++: protocols::fldsgn::topology::HelixPairingSet::operator=(const class protocols::fldsgn::topology::HelixPairingSet &) –> class protocols::fldsgn::topology::HelixPairingSet &
- calc_geometry(self: pyrosetta.rosetta.protocols.fldsgn.topology.HelixPairingSet, ss_info: protocols::fldsgn::topology::SS_Info2) None ¶
calc geomtry of helix pairing
C++: protocols::fldsgn::topology::HelixPairingSet::calc_geometry(class std::shared_ptr<const class protocols::fldsgn::topology::SS_Info2>) –> void
- clear(self: pyrosetta.rosetta.protocols.fldsgn.topology.HelixPairingSet) None ¶
clear data of this HelixPairingSet
C++: protocols::fldsgn::topology::HelixPairingSet::clear() –> void
- clone(self: pyrosetta.rosetta.protocols.fldsgn.topology.HelixPairingSet) pyrosetta.rosetta.protocols.fldsgn.topology.HelixPairingSet ¶
clone this object
C++: protocols::fldsgn::topology::HelixPairingSet::clone() const –> class std::shared_ptr<class protocols::fldsgn::topology::HelixPairingSet>
- helix_pairing(*args, **kwargs)¶
Overloaded function.
helix_pairing(self: pyrosetta.rosetta.protocols.fldsgn.topology.HelixPairingSet, s: int) -> pyrosetta.rosetta.protocols.fldsgn.topology.HelixPairing
return one of the strand_pairings given a number
C++: protocols::fldsgn::topology::HelixPairingSet::helix_pairing(const unsigned long) const –> class std::shared_ptr<class protocols::fldsgn::topology::HelixPairing>
helix_pairing(self: pyrosetta.rosetta.protocols.fldsgn.topology.HelixPairingSet, h1: int, h2: int) -> pyrosetta.rosetta.protocols.fldsgn.topology.HelixPairing
- return the pointer of the helix pairing, given the two helix numbers of h1, and h2
if h1 and h2 does not make pairing, return 0
C++: protocols::fldsgn::topology::HelixPairingSet::helix_pairing(const unsigned long, const unsigned long) –> class std::shared_ptr<class protocols::fldsgn::topology::HelixPairing>
- helix_pairings(self: pyrosetta.rosetta.protocols.fldsgn.topology.HelixPairingSet) pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_fldsgn_topology_HelixPairing_t ¶
return all helix pairings
C++: protocols::fldsgn::topology::HelixPairingSet::helix_pairings() const –> const class utility::vector1<class std::shared_ptr<class protocols::fldsgn::topology::HelixPairing>, class std::allocator<class std::shared_ptr<class protocols::fldsgn::topology::HelixPairing> > > &
- name(self: pyrosetta.rosetta.protocols.fldsgn.topology.HelixPairingSet) str ¶
the name of HelixPairingSet is expressed by the combination of helix pairings
C++: protocols::fldsgn::topology::HelixPairingSet::name() const –> std::string
- push_back(self: pyrosetta.rosetta.protocols.fldsgn.topology.HelixPairingSet, hop: pyrosetta.rosetta.protocols.fldsgn.topology.HelixPairing) None ¶
add HelixPairingOP to StrandPairingSet
C++: protocols::fldsgn::topology::HelixPairingSet::push_back(const class std::shared_ptr<class protocols::fldsgn::topology::HelixPairing>) –> void
- size(self: pyrosetta.rosetta.protocols.fldsgn.topology.HelixPairingSet) int ¶
return the size of helix_pairings_
C++: protocols::fldsgn::topology::HelixPairingSet::size() const –> unsigned long
- class pyrosetta.rosetta.protocols.fldsgn.topology.Loop¶
Bases:
SS_Base
- Cend_orient(self: pyrosetta.rosetta.protocols.fldsgn.topology.SS_Base) pyrosetta.rosetta.numeric.xyzVector_double_t ¶
C++: protocols::fldsgn::topology::SS_Base::Cend_orient() const –> class numeric::xyzVector<double>
- Cend_pos(self: pyrosetta.rosetta.protocols.fldsgn.topology.SS_Base) pyrosetta.rosetta.numeric.xyzVector_double_t ¶
C++: protocols::fldsgn::topology::SS_Base::Cend_pos() const –> class numeric::xyzVector<double>
- Nend_orient(self: pyrosetta.rosetta.protocols.fldsgn.topology.SS_Base) pyrosetta.rosetta.numeric.xyzVector_double_t ¶
C++: protocols::fldsgn::topology::SS_Base::Nend_orient() const –> class numeric::xyzVector<double>
- Nend_pos(self: pyrosetta.rosetta.protocols.fldsgn.topology.SS_Base) pyrosetta.rosetta.numeric.xyzVector_double_t ¶
C++: protocols::fldsgn::topology::SS_Base::Nend_pos() const –> class numeric::xyzVector<double>
- assign(self: pyrosetta.rosetta.protocols.fldsgn.topology.Loop, : pyrosetta.rosetta.protocols.fldsgn.topology.Loop) pyrosetta.rosetta.protocols.fldsgn.topology.Loop ¶
C++: protocols::fldsgn::topology::Loop::operator=(const class protocols::fldsgn::topology::Loop &) –> class protocols::fldsgn::topology::Loop &
- begin(self: pyrosetta.rosetta.protocols.fldsgn.topology.SS_Base) int ¶
C++: protocols::fldsgn::topology::SS_Base::begin() const –> unsigned long
- end(self: pyrosetta.rosetta.protocols.fldsgn.topology.SS_Base) int ¶
C++: protocols::fldsgn::topology::SS_Base::end() const –> unsigned long
- is_geometry_initialized(self: pyrosetta.rosetta.protocols.fldsgn.topology.SS_Base) bool ¶
C++: protocols::fldsgn::topology::SS_Base::is_geometry_initialized() const –> bool
- length(self: pyrosetta.rosetta.protocols.fldsgn.topology.SS_Base) int ¶
C++: protocols::fldsgn::topology::SS_Base::length() const –> unsigned long
- mid_pos(self: pyrosetta.rosetta.protocols.fldsgn.topology.SS_Base) pyrosetta.rosetta.numeric.xyzVector_double_t ¶
C++: protocols::fldsgn::topology::SS_Base::mid_pos() const –> class numeric::xyzVector<double>
- orient(self: pyrosetta.rosetta.protocols.fldsgn.topology.SS_Base) pyrosetta.rosetta.numeric.xyzVector_double_t ¶
C++: protocols::fldsgn::topology::SS_Base::orient() const –> class numeric::xyzVector<double>
- type(self: pyrosetta.rosetta.protocols.fldsgn.topology.Loop) str ¶
C++: protocols::fldsgn::topology::Loop::type() const –> std::string
- property type_¶
- class pyrosetta.rosetta.protocols.fldsgn.topology.SS_Base¶
Bases:
pybind11_object
- Cend_orient(self: pyrosetta.rosetta.protocols.fldsgn.topology.SS_Base) pyrosetta.rosetta.numeric.xyzVector_double_t ¶
C++: protocols::fldsgn::topology::SS_Base::Cend_orient() const –> class numeric::xyzVector<double>
- Cend_pos(self: pyrosetta.rosetta.protocols.fldsgn.topology.SS_Base) pyrosetta.rosetta.numeric.xyzVector_double_t ¶
C++: protocols::fldsgn::topology::SS_Base::Cend_pos() const –> class numeric::xyzVector<double>
- Nend_orient(self: pyrosetta.rosetta.protocols.fldsgn.topology.SS_Base) pyrosetta.rosetta.numeric.xyzVector_double_t ¶
C++: protocols::fldsgn::topology::SS_Base::Nend_orient() const –> class numeric::xyzVector<double>
- Nend_pos(self: pyrosetta.rosetta.protocols.fldsgn.topology.SS_Base) pyrosetta.rosetta.numeric.xyzVector_double_t ¶
C++: protocols::fldsgn::topology::SS_Base::Nend_pos() const –> class numeric::xyzVector<double>
- assign(self: pyrosetta.rosetta.protocols.fldsgn.topology.SS_Base, : pyrosetta.rosetta.protocols.fldsgn.topology.SS_Base) pyrosetta.rosetta.protocols.fldsgn.topology.SS_Base ¶
C++: protocols::fldsgn::topology::SS_Base::operator=(const class protocols::fldsgn::topology::SS_Base &) –> class protocols::fldsgn::topology::SS_Base &
- begin(self: pyrosetta.rosetta.protocols.fldsgn.topology.SS_Base) int ¶
C++: protocols::fldsgn::topology::SS_Base::begin() const –> unsigned long
- end(self: pyrosetta.rosetta.protocols.fldsgn.topology.SS_Base) int ¶
C++: protocols::fldsgn::topology::SS_Base::end() const –> unsigned long
- is_geometry_initialized(self: pyrosetta.rosetta.protocols.fldsgn.topology.SS_Base) bool ¶
C++: protocols::fldsgn::topology::SS_Base::is_geometry_initialized() const –> bool
- length(self: pyrosetta.rosetta.protocols.fldsgn.topology.SS_Base) int ¶
C++: protocols::fldsgn::topology::SS_Base::length() const –> unsigned long
- mid_pos(self: pyrosetta.rosetta.protocols.fldsgn.topology.SS_Base) pyrosetta.rosetta.numeric.xyzVector_double_t ¶
C++: protocols::fldsgn::topology::SS_Base::mid_pos() const –> class numeric::xyzVector<double>
- orient(self: pyrosetta.rosetta.protocols.fldsgn.topology.SS_Base) pyrosetta.rosetta.numeric.xyzVector_double_t ¶
C++: protocols::fldsgn::topology::SS_Base::orient() const –> class numeric::xyzVector<double>
- class pyrosetta.rosetta.protocols.fldsgn.topology.SS_Info2¶
Bases:
CacheableData
- assign(self: pyrosetta.rosetta.protocols.fldsgn.topology.SS_Info2, : pyrosetta.rosetta.protocols.fldsgn.topology.SS_Info2) pyrosetta.rosetta.protocols.fldsgn.topology.SS_Info2 ¶
C++: protocols::fldsgn::topology::SS_Info2::operator=(const class protocols::fldsgn::topology::SS_Info2 &) –> class protocols::fldsgn::topology::SS_Info2 &
- bb_pos(self: pyrosetta.rosetta.protocols.fldsgn.topology.SS_Info2) pyrosetta.rosetta.protocols.fldsgn.topology.BB_Pos ¶
get xyz-coordinates of backbone structure
C++: protocols::fldsgn::topology::SS_Info2::bb_pos() const –> const class protocols::fldsgn::topology::BB_Pos &
- bbpos_is_set(self: pyrosetta.rosetta.protocols.fldsgn.topology.SS_Info2) bool ¶
get flag for telling whether bb_pos_ was initiliazed by pose or not
C++: protocols::fldsgn::topology::SS_Info2::bbpos_is_set() const –> bool
- clear_data(self: pyrosetta.rosetta.protocols.fldsgn.topology.SS_Info2) None ¶
clear data
C++: protocols::fldsgn::topology::SS_Info2::clear_data() –> void
- clone(self: pyrosetta.rosetta.protocols.fldsgn.topology.SS_Info2) pyrosetta.rosetta.basic.datacache.CacheableData ¶
make clone
C++: protocols::fldsgn::topology::SS_Info2::clone() const –> class std::shared_ptr<class basic::datacache::CacheableData>
- get_self_ptr(self: pyrosetta.rosetta.basic.datacache.CacheableData) pyrosetta.rosetta.basic.datacache.CacheableData ¶
C++: basic::datacache::CacheableData::get_self_ptr() –> class std::shared_ptr<class basic::datacache::CacheableData>
- get_self_weak_ptr(self: pyrosetta.rosetta.basic.datacache.CacheableData) pyrosetta.rosetta.std.weak_ptr_basic_datacache_CacheableData_t ¶
C++: basic::datacache::CacheableData::get_self_weak_ptr() –> class std::weak_ptr<class basic::datacache::CacheableData>
- helices(self: pyrosetta.rosetta.protocols.fldsgn.topology.SS_Info2) pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_fldsgn_topology_Helix_t ¶
return helices
C++: protocols::fldsgn::topology::SS_Info2::helices() const –> const class utility::vector1<class std::shared_ptr<class protocols::fldsgn::topology::Helix>, class std::allocator<class std::shared_ptr<class protocols::fldsgn::topology::Helix> > > &
- helix(self: pyrosetta.rosetta.protocols.fldsgn.topology.SS_Info2, ih: int) pyrosetta.rosetta.protocols.fldsgn.topology.Helix ¶
return owning pointer of helix given an index of helices
C++: protocols::fldsgn::topology::SS_Info2::helix(unsigned long) const –> const class std::shared_ptr<const class protocols::fldsgn::topology::Helix>
- helix_id(self: pyrosetta.rosetta.protocols.fldsgn.topology.SS_Info2, nres: int) int ¶
return helix index in helices given a residue number
C++: protocols::fldsgn::topology::SS_Info2::helix_id(const unsigned long) const –> unsigned long
- initialize(*args, **kwargs)¶
Overloaded function.
initialize(self: pyrosetta.rosetta.protocols.fldsgn.topology.SS_Info2, secstruct: str) -> None
initialize parameters of this class
C++: protocols::fldsgn::topology::SS_Info2::initialize(const std::string &) –> void
initialize(self: pyrosetta.rosetta.protocols.fldsgn.topology.SS_Info2, pose: pyrosetta.rosetta.core.pose.Pose) -> None
initialize(self: pyrosetta.rosetta.protocols.fldsgn.topology.SS_Info2, pose: pyrosetta.rosetta.core.pose.Pose, secstruct: str) -> None
initialize parameters of this class
C++: protocols::fldsgn::topology::SS_Info2::initialize(const class core::pose::Pose &, const std::string &) –> void
- loop(self: pyrosetta.rosetta.protocols.fldsgn.topology.SS_Info2, il: int) pyrosetta.rosetta.protocols.fldsgn.topology.Loop ¶
return owning pointer of loop given an index of loops
C++: protocols::fldsgn::topology::SS_Info2::loop(unsigned long) const –> const class std::shared_ptr<const class protocols::fldsgn::topology::Loop>
- loop_id(self: pyrosetta.rosetta.protocols.fldsgn.topology.SS_Info2, nres: int) int ¶
return loop index in loops given a residue number
C++: protocols::fldsgn::topology::SS_Info2::loop_id(const unsigned long) const –> unsigned long
- loops(self: pyrosetta.rosetta.protocols.fldsgn.topology.SS_Info2) pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_fldsgn_topology_Loop_t ¶
return loops
C++: protocols::fldsgn::topology::SS_Info2::loops() const –> const class utility::vector1<class std::shared_ptr<class protocols::fldsgn::topology::Loop>, class std::allocator<class std::shared_ptr<class protocols::fldsgn::topology::Loop> > > &
- secstruct(*args, **kwargs)¶
Overloaded function.
secstruct(self: pyrosetta.rosetta.protocols.fldsgn.topology.SS_Info2) -> str
string of secondary structure elements
C++: protocols::fldsgn::topology::SS_Info2::secstruct() const –> std::string
secstruct(self: pyrosetta.rosetta.protocols.fldsgn.topology.SS_Info2, ii: int) -> str
C++: protocols::fldsgn::topology::SS_Info2::secstruct(unsigned long) const –> char
- set_SSorient(*args, **kwargs)¶
Overloaded function.
set_SSorient(self: pyrosetta.rosetta.protocols.fldsgn.topology.SS_Info2, pose: pyrosetta.rosetta.core.pose.Pose) -> None
set orientation vector of secondary structures given a pose
C++: protocols::fldsgn::topology::SS_Info2::set_SSorient(const class core::pose::Pose &) –> void
set_SSorient(self: pyrosetta.rosetta.protocols.fldsgn.topology.SS_Info2) -> None
set orientation vector of secondary structures given a pose which is defined in the constructor
C++: protocols::fldsgn::topology::SS_Info2::set_SSorient() –> void
- ss_element_id(self: pyrosetta.rosetta.protocols.fldsgn.topology.SS_Info2, nres: int) int ¶
return the index of secondary structure element given a residue number
C++: protocols::fldsgn::topology::SS_Info2::ss_element_id(const unsigned long) const –> unsigned long
- strand(self: pyrosetta.rosetta.protocols.fldsgn.topology.SS_Info2, is: int) pyrosetta.rosetta.protocols.fldsgn.topology.Strand ¶
return owning pointer of strand given an index of strands
C++: protocols::fldsgn::topology::SS_Info2::strand(unsigned long) const –> const class std::shared_ptr<const class protocols::fldsgn::topology::Strand>
- strand_id(self: pyrosetta.rosetta.protocols.fldsgn.topology.SS_Info2, nres: int) int ¶
return strand index in strands given a residue number
C++: protocols::fldsgn::topology::SS_Info2::strand_id(const unsigned long) const –> unsigned long
- strands(self: pyrosetta.rosetta.protocols.fldsgn.topology.SS_Info2) pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_fldsgn_topology_Strand_t ¶
return strands
C++: protocols::fldsgn::topology::SS_Info2::strands() const –> const class utility::vector1<class std::shared_ptr<class protocols::fldsgn::topology::Strand>, class std::allocator<class std::shared_ptr<class protocols::fldsgn::topology::Strand> > > &
- class pyrosetta.rosetta.protocols.fldsgn.topology.Sheet¶
Bases:
pybind11_object
- assign(self: pyrosetta.rosetta.protocols.fldsgn.topology.Sheet, : pyrosetta.rosetta.protocols.fldsgn.topology.Sheet) pyrosetta.rosetta.protocols.fldsgn.topology.Sheet ¶
C++: protocols::fldsgn::topology::Sheet::operator=(const class protocols::fldsgn::topology::Sheet &) –> class protocols::fldsgn::topology::Sheet &
- ca_cb_orient(self: pyrosetta.rosetta.protocols.fldsgn.topology.Sheet, s: int) int ¶
C++: protocols::fldsgn::topology::Sheet::ca_cb_orient(const unsigned long) const –> int
- ca_cb_orients(self: pyrosetta.rosetta.protocols.fldsgn.topology.Sheet) pyrosetta.rosetta.utility.vector1_int ¶
C++: protocols::fldsgn::topology::Sheet::ca_cb_orients() const –> class utility::vector1<int, class std::allocator<int> >
- calc_geometry(self: pyrosetta.rosetta.protocols.fldsgn.topology.Sheet, ssinfo: pyrosetta.rosetta.protocols.fldsgn.topology.SS_Info2) None ¶
calc geometry of sheet, sheet_plane_, sheet_center_, ca_cb_orients_
C++: protocols::fldsgn::topology::Sheet::calc_geometry(const class std::shared_ptr<const class protocols::fldsgn::topology::SS_Info2>) –> void
- calc_sasa_bothsides(*args, **kwargs)¶
Overloaded function.
calc_sasa_bothsides(self: pyrosetta.rosetta.protocols.fldsgn.topology.Sheet, pose: pyrosetta.rosetta.core.pose.Pose, ssinfo: pyrosetta.rosetta.protocols.fldsgn.topology.SS_Info2) -> pyrosetta.rosetta.utility.vector1_double
calc_sasa_bothsides(self: pyrosetta.rosetta.protocols.fldsgn.topology.Sheet, pose: pyrosetta.rosetta.core.pose.Pose, ssinfo: pyrosetta.rosetta.protocols.fldsgn.topology.SS_Info2, pore_radius: float) -> pyrosetta.rosetta.utility.vector1_double
calc surface areas only with beta-sheet
C++: protocols::fldsgn::topology::Sheet::calc_sasa_bothsides(const class core::pose::Pose &, const class std::shared_ptr<const class protocols::fldsgn::topology::SS_Info2>, double) –> class utility::vector1<double, class std::allocator<double> >
- clone(self: pyrosetta.rosetta.protocols.fldsgn.topology.Sheet) pyrosetta.rosetta.protocols.fldsgn.topology.Sheet ¶
clone this object
C++: protocols::fldsgn::topology::Sheet::clone() –> class std::shared_ptr<class protocols::fldsgn::topology::Sheet>
- initialize(self: pyrosetta.rosetta.protocols.fldsgn.topology.Sheet) None ¶
intialize this class
C++: protocols::fldsgn::topology::Sheet::initialize() –> void
- is_barrel(self: pyrosetta.rosetta.protocols.fldsgn.topology.Sheet) bool ¶
is this barrel ?
C++: protocols::fldsgn::topology::Sheet::is_barrel() const –> bool
- is_member(self: pyrosetta.rosetta.protocols.fldsgn.topology.Sheet, s: int) bool ¶
C++: protocols::fldsgn::topology::Sheet::is_member(const unsigned long) –> bool
- num_strands(self: pyrosetta.rosetta.protocols.fldsgn.topology.Sheet) int ¶
the number strands inclued in
C++: protocols::fldsgn::topology::Sheet::num_strands() const –> unsigned long
- order_strand(self: pyrosetta.rosetta.protocols.fldsgn.topology.Sheet, s: int) int ¶
C++: protocols::fldsgn::topology::Sheet::order_strand(const unsigned long) const –> unsigned long
- order_strands(self: pyrosetta.rosetta.protocols.fldsgn.topology.Sheet) pyrosetta.rosetta.utility.vector1_unsigned_long ¶
C++: protocols::fldsgn::topology::Sheet::order_strands() const –> class utility::vector1<unsigned long, class std::allocator<unsigned long> >
- orient_strand(self: pyrosetta.rosetta.protocols.fldsgn.topology.Sheet, s: int) int ¶
C++: protocols::fldsgn::topology::Sheet::orient_strand(const unsigned long) const –> int
- orient_strands(self: pyrosetta.rosetta.protocols.fldsgn.topology.Sheet) pyrosetta.rosetta.utility.vector1_int ¶
C++: protocols::fldsgn::topology::Sheet::orient_strands() const –> class utility::vector1<int, class std::allocator<int> >
- strand_order(self: pyrosetta.rosetta.protocols.fldsgn.topology.Sheet, s: int) int ¶
C++: protocols::fldsgn::topology::Sheet::strand_order(const unsigned long) –> unsigned long
- which_side(self: pyrosetta.rosetta.protocols.fldsgn.topology.Sheet, vec: pyrosetta.rosetta.numeric.xyzVector_double_t) int ¶
C++: protocols::fldsgn::topology::Sheet::which_side(const class numeric::xyzVector<double> &) const –> int
- class pyrosetta.rosetta.protocols.fldsgn.topology.SheetFoldType¶
Bases:
pybind11_object
List of topologies determined by strand pairings
Members:
BABx1
RosI
RosO
BABx2
Thio
BFr
EFr
CFr
DFr
Rsmn2x2
Rsmn3x3_Half
BABx3
PG_like
Thioredoxin
BAB_CFr
DFr_BAB
BEFr
Fd_like
RFd_like
CDFr
HPN_CFr
DFr_HPN
Flavodoxin
Ploop2x3
RNAseH
Top7
Rsmn3x3
Ploop3x3
UNFOLD
NO_STRANDS
UNKNOWN
n_fold_types
- BAB_CFr = <SheetFoldType.BAB_CFr: 15>¶
- BABx1 = <SheetFoldType.BABx1: 1>¶
- BABx2 = <SheetFoldType.BABx2: 4>¶
- BABx3 = <SheetFoldType.BABx3: 12>¶
- BEFr = <SheetFoldType.BEFr: 17>¶
- BFr = <SheetFoldType.BFr: 6>¶
- CDFr = <SheetFoldType.CDFr: 20>¶
- CFr = <SheetFoldType.CFr: 8>¶
- DFr = <SheetFoldType.DFr: 9>¶
- DFr_BAB = <SheetFoldType.DFr_BAB: 16>¶
- DFr_HPN = <SheetFoldType.DFr_HPN: 22>¶
- EFr = <SheetFoldType.EFr: 7>¶
- Fd_like = <SheetFoldType.Fd_like: 18>¶
- Flavodoxin = <SheetFoldType.Flavodoxin: 23>¶
- HPN_CFr = <SheetFoldType.HPN_CFr: 21>¶
- NO_STRANDS = <SheetFoldType.NO_STRANDS: 30>¶
- PG_like = <SheetFoldType.PG_like: 13>¶
- Ploop2x3 = <SheetFoldType.Ploop2x3: 24>¶
- Ploop3x3 = <SheetFoldType.Ploop3x3: 28>¶
- RFd_like = <SheetFoldType.RFd_like: 19>¶
- RNAseH = <SheetFoldType.RNAseH: 25>¶
- RosI = <SheetFoldType.RosI: 2>¶
- RosO = <SheetFoldType.RosO: 3>¶
- Rsmn2x2 = <SheetFoldType.Rsmn2x2: 10>¶
- Rsmn3x3 = <SheetFoldType.Rsmn3x3: 27>¶
- Rsmn3x3_Half = <SheetFoldType.Rsmn3x3_Half: 11>¶
- Thio = <SheetFoldType.Thio: 5>¶
- Thioredoxin = <SheetFoldType.Thioredoxin: 14>¶
- Top7 = <SheetFoldType.Top7: 26>¶
- UNFOLD = <SheetFoldType.UNFOLD: 29>¶
- UNKNOWN = <SheetFoldType.UNKNOWN: 31>¶
- n_fold_types = <SheetFoldType.UNKNOWN: 31>¶
- property name¶
- property value¶
- class pyrosetta.rosetta.protocols.fldsgn.topology.SheetFoldTypeManager¶
Bases:
pybind11_object
- foldtype_from_name(self: pyrosetta.rosetta.protocols.fldsgn.topology.SheetFoldTypeManager, name: str) pyrosetta.rosetta.protocols.fldsgn.topology.SheetFoldType ¶
C++: protocols::fldsgn::topology::SheetFoldTypeManager::foldtype_from_name(const std::string &) –> enum protocols::fldsgn::topology::SheetFoldType
- foldtype_from_spairs(self: pyrosetta.rosetta.protocols.fldsgn.topology.SheetFoldTypeManager, spairs: str) pyrosetta.rosetta.protocols.fldsgn.topology.SheetFoldType ¶
C++: protocols::fldsgn::topology::SheetFoldTypeManager::foldtype_from_spairs(const std::string &) –> enum protocols::fldsgn::topology::SheetFoldType
- is_foldtype(self: pyrosetta.rosetta.protocols.fldsgn.topology.SheetFoldTypeManager, name: str) bool ¶
C++: protocols::fldsgn::topology::SheetFoldTypeManager::is_foldtype(const std::string &) –> bool
- is_sparis_foldtype(self: pyrosetta.rosetta.protocols.fldsgn.topology.SheetFoldTypeManager, spairs: str) bool ¶
C++: protocols::fldsgn::topology::SheetFoldTypeManager::is_sparis_foldtype(const std::string &) –> bool
- name_from_foldtype(self: pyrosetta.rosetta.protocols.fldsgn.topology.SheetFoldTypeManager, score_type: pyrosetta.rosetta.protocols.fldsgn.topology.SheetFoldType) str ¶
C++: protocols::fldsgn::topology::SheetFoldTypeManager::name_from_foldtype(enum protocols::fldsgn::topology::SheetFoldType) –> std::string
- spairs_from_foldtype(self: pyrosetta.rosetta.protocols.fldsgn.topology.SheetFoldTypeManager, foldtype: pyrosetta.rosetta.protocols.fldsgn.topology.SheetFoldType) str ¶
C++: protocols::fldsgn::topology::SheetFoldTypeManager::spairs_from_foldtype(enum protocols::fldsgn::topology::SheetFoldType) –> std::string
- class pyrosetta.rosetta.protocols.fldsgn.topology.SheetSet¶
Bases:
pybind11_object
- assign(self: pyrosetta.rosetta.protocols.fldsgn.topology.SheetSet, : pyrosetta.rosetta.protocols.fldsgn.topology.SheetSet) pyrosetta.rosetta.protocols.fldsgn.topology.SheetSet ¶
C++: protocols::fldsgn::topology::SheetSet::operator=(const class protocols::fldsgn::topology::SheetSet &) –> class protocols::fldsgn::topology::SheetSet &
- calc_geometry(self: pyrosetta.rosetta.protocols.fldsgn.topology.SheetSet, ssinfo: pyrosetta.rosetta.protocols.fldsgn.topology.SS_Info2) None ¶
C++: protocols::fldsgn::topology::SheetSet::calc_geometry(const class std::shared_ptr<const class protocols::fldsgn::topology::SS_Info2>) –> void
- clear(self: pyrosetta.rosetta.protocols.fldsgn.topology.SheetSet) None ¶
C++: protocols::fldsgn::topology::SheetSet::clear() –> void
- initialize(self: pyrosetta.rosetta.protocols.fldsgn.topology.SheetSet, ssinfo: pyrosetta.rosetta.protocols.fldsgn.topology.SS_Info2, spairset: pyrosetta.rosetta.protocols.fldsgn.topology.StrandPairingSet) None ¶
C++: protocols::fldsgn::topology::SheetSet::initialize(const class std::shared_ptr<const class protocols::fldsgn::topology::SS_Info2>, const class std::shared_ptr<const class protocols::fldsgn::topology::StrandPairingSet>) –> void
- num_sheets(self: pyrosetta.rosetta.protocols.fldsgn.topology.SheetSet) int ¶
return number of sheets
C++: protocols::fldsgn::topology::SheetSet::num_sheets() const –> unsigned long
- push_back(self: pyrosetta.rosetta.protocols.fldsgn.topology.SheetSet, sop: pyrosetta.rosetta.protocols.fldsgn.topology.Sheet) None ¶
C++: protocols::fldsgn::topology::SheetSet::push_back(const class std::shared_ptr<class protocols::fldsgn::topology::Sheet>) –> void
- sheet(self: pyrosetta.rosetta.protocols.fldsgn.topology.SheetSet, s: int) pyrosetta.rosetta.protocols.fldsgn.topology.Sheet ¶
C++: protocols::fldsgn::topology::SheetSet::sheet(const unsigned long) const –> class std::shared_ptr<class protocols::fldsgn::topology::Sheet>
- sheets(self: pyrosetta.rosetta.protocols.fldsgn.topology.SheetSet) pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_fldsgn_topology_Sheet_t ¶
C++: protocols::fldsgn::topology::SheetSet::sheets() const –> class utility::vector1<class std::shared_ptr<class protocols::fldsgn::topology::Sheet>, class std::allocator<class std::shared_ptr<class protocols::fldsgn::topology::Sheet> > >
- size(self: pyrosetta.rosetta.protocols.fldsgn.topology.SheetSet) int ¶
return number of sheets
C++: protocols::fldsgn::topology::SheetSet::size() const –> unsigned long
- spairset(self: pyrosetta.rosetta.protocols.fldsgn.topology.SheetSet) pyrosetta.rosetta.protocols.fldsgn.topology.StrandPairingSet ¶
return strand pairing set
C++: protocols::fldsgn::topology::SheetSet::spairset() const –> class protocols::fldsgn::topology::StrandPairingSet
- which_sheet(self: pyrosetta.rosetta.protocols.fldsgn.topology.SheetSet, s: int) int ¶
return the id of sheet that a given strand belongs to.
C++: protocols::fldsgn::topology::SheetSet::which_sheet(const unsigned long) const –> unsigned long
- class pyrosetta.rosetta.protocols.fldsgn.topology.Strand¶
Bases:
SS_Base
- Cend_orient(self: pyrosetta.rosetta.protocols.fldsgn.topology.SS_Base) pyrosetta.rosetta.numeric.xyzVector_double_t ¶
C++: protocols::fldsgn::topology::SS_Base::Cend_orient() const –> class numeric::xyzVector<double>
- Cend_pos(self: pyrosetta.rosetta.protocols.fldsgn.topology.SS_Base) pyrosetta.rosetta.numeric.xyzVector_double_t ¶
C++: protocols::fldsgn::topology::SS_Base::Cend_pos() const –> class numeric::xyzVector<double>
- Nend_orient(self: pyrosetta.rosetta.protocols.fldsgn.topology.SS_Base) pyrosetta.rosetta.numeric.xyzVector_double_t ¶
C++: protocols::fldsgn::topology::SS_Base::Nend_orient() const –> class numeric::xyzVector<double>
- Nend_pos(self: pyrosetta.rosetta.protocols.fldsgn.topology.SS_Base) pyrosetta.rosetta.numeric.xyzVector_double_t ¶
C++: protocols::fldsgn::topology::SS_Base::Nend_pos() const –> class numeric::xyzVector<double>
- assign(self: pyrosetta.rosetta.protocols.fldsgn.topology.Strand, : pyrosetta.rosetta.protocols.fldsgn.topology.Strand) pyrosetta.rosetta.protocols.fldsgn.topology.Strand ¶
C++: protocols::fldsgn::topology::Strand::operator=(const class protocols::fldsgn::topology::Strand &) –> class protocols::fldsgn::topology::Strand &
- begin(self: pyrosetta.rosetta.protocols.fldsgn.topology.SS_Base) int ¶
C++: protocols::fldsgn::topology::SS_Base::begin() const –> unsigned long
- calc_geometry(self: pyrosetta.rosetta.protocols.fldsgn.topology.Strand, bbpos: pyrosetta.rosetta.protocols.fldsgn.topology.BB_Pos) None ¶
C++: protocols::fldsgn::topology::Strand::calc_geometry(const class protocols::fldsgn::topology::BB_Pos &) –> void
- end(self: pyrosetta.rosetta.protocols.fldsgn.topology.SS_Base) int ¶
C++: protocols::fldsgn::topology::SS_Base::end() const –> unsigned long
- is_geometry_initialized(self: pyrosetta.rosetta.protocols.fldsgn.topology.SS_Base) bool ¶
C++: protocols::fldsgn::topology::SS_Base::is_geometry_initialized() const –> bool
- length(self: pyrosetta.rosetta.protocols.fldsgn.topology.SS_Base) int ¶
C++: protocols::fldsgn::topology::SS_Base::length() const –> unsigned long
- mid_pos(self: pyrosetta.rosetta.protocols.fldsgn.topology.SS_Base) pyrosetta.rosetta.numeric.xyzVector_double_t ¶
C++: protocols::fldsgn::topology::SS_Base::mid_pos() const –> class numeric::xyzVector<double>
- orient(self: pyrosetta.rosetta.protocols.fldsgn.topology.SS_Base) pyrosetta.rosetta.numeric.xyzVector_double_t ¶
C++: protocols::fldsgn::topology::SS_Base::orient() const –> class numeric::xyzVector<double>
- class pyrosetta.rosetta.protocols.fldsgn.topology.StrandPairing¶
Bases:
pybind11_object
- add_pair(self: pyrosetta.rosetta.protocols.fldsgn.topology.StrandPairing, r1: int, r2: int, orient: str, rgstr: float) bool ¶
C++: protocols::fldsgn::topology::StrandPairing::add_pair(const unsigned long, const unsigned long, const char, const double) –> bool
- assign(self: pyrosetta.rosetta.protocols.fldsgn.topology.StrandPairing, : pyrosetta.rosetta.protocols.fldsgn.topology.StrandPairing) pyrosetta.rosetta.protocols.fldsgn.topology.StrandPairing ¶
C++: protocols::fldsgn::topology::StrandPairing::operator=(const class protocols::fldsgn::topology::StrandPairing &) –> class protocols::fldsgn::topology::StrandPairing &
- begin1(self: pyrosetta.rosetta.protocols.fldsgn.topology.StrandPairing) int ¶
the residue number of the beginning of 1st strand
C++: protocols::fldsgn::topology::StrandPairing::begin1() const –> unsigned long
- begin2(self: pyrosetta.rosetta.protocols.fldsgn.topology.StrandPairing) int ¶
the residue number of the beginning of 2nd strand
C++: protocols::fldsgn::topology::StrandPairing::begin2() const –> unsigned long
- clone(self: pyrosetta.rosetta.protocols.fldsgn.topology.StrandPairing) pyrosetta.rosetta.protocols.fldsgn.topology.StrandPairing ¶
clone this object
C++: protocols::fldsgn::topology::StrandPairing::clone() –> class std::shared_ptr<class protocols::fldsgn::topology::StrandPairing>
- elongate(self: pyrosetta.rosetta.protocols.fldsgn.topology.StrandPairing, r1: int, r2: int, p1: int, p2: int) bool ¶
elongate strand pairings
C++: protocols::fldsgn::topology::StrandPairing::elongate(const unsigned long, const unsigned long, const unsigned long, const unsigned long) –> bool
- end1(self: pyrosetta.rosetta.protocols.fldsgn.topology.StrandPairing) int ¶
the residue number of the end of 1st strand
C++: protocols::fldsgn::topology::StrandPairing::end1() const –> unsigned long
- end2(self: pyrosetta.rosetta.protocols.fldsgn.topology.StrandPairing) int ¶
the residue number of the end of 2nd strand
C++: protocols::fldsgn::topology::StrandPairing::end2() const –> unsigned long
- has_bulge(self: pyrosetta.rosetta.protocols.fldsgn.topology.StrandPairing) bool ¶
whether the strand pairing have bulge or not
C++: protocols::fldsgn::topology::StrandPairing::has_bulge() const –> bool
- has_paired_residue(self: pyrosetta.rosetta.protocols.fldsgn.topology.StrandPairing, res: int) bool ¶
return residue pairing
C++: protocols::fldsgn::topology::StrandPairing::has_paired_residue(const unsigned long) const –> bool
- is_bulge(self: pyrosetta.rosetta.protocols.fldsgn.topology.StrandPairing, resid: int) bool ¶
whethe the given residue number is a bulge
C++: protocols::fldsgn::topology::StrandPairing::is_bulge(const unsigned long) const –> bool
- is_member(self: pyrosetta.rosetta.protocols.fldsgn.topology.StrandPairing, res: int) bool ¶
whether input residue is included in this StrandPairinge or not
C++: protocols::fldsgn::topology::StrandPairing::is_member(const unsigned long) –> bool
- is_parallel(self: pyrosetta.rosetta.protocols.fldsgn.topology.StrandPairing) bool ¶
is parallel
C++: protocols::fldsgn::topology::StrandPairing::is_parallel() const –> bool
- name(self: pyrosetta.rosetta.protocols.fldsgn.topology.StrandPairing) str ¶
- StrandPairing is descripbed as s1()-s2().orient().rgstr_shift()
For example, 2-3.A.1 means 2nd and 3rd strands make anti-parallel strand_pairing with register shift 1
C++: protocols::fldsgn::topology::StrandPairing::name() const –> std::string
- orient(self: pyrosetta.rosetta.protocols.fldsgn.topology.StrandPairing) str ¶
orientation, parallel or anti-parallel, of strand pairing
C++: protocols::fldsgn::topology::StrandPairing::orient() const –> char
- pleats1(self: pyrosetta.rosetta.protocols.fldsgn.topology.StrandPairing) pyrosetta.rosetta.utility.vector1_unsigned_long ¶
the pleating at the begining of strand_pairing
C++: protocols::fldsgn::topology::StrandPairing::pleats1() const –> class utility::vector1<unsigned long, class std::allocator<unsigned long> >
- pleats2(self: pyrosetta.rosetta.protocols.fldsgn.topology.StrandPairing) pyrosetta.rosetta.utility.vector1_unsigned_long ¶
the pleating at the end of strand_pairing
C++: protocols::fldsgn::topology::StrandPairing::pleats2() const –> class utility::vector1<unsigned long, class std::allocator<unsigned long> >
- redefine_begin_end(self: pyrosetta.rosetta.protocols.fldsgn.topology.StrandPairing, ss_info: pyrosetta.rosetta.protocols.fldsgn.topology.SS_Info2, abego: pyrosetta.rosetta.utility.vector1_std_string) None ¶
- reset begin1_, begin2_, and end1_, end2_ based on ssinfo
abego is used for obtaining bulge information if it is non-empty
C++: protocols::fldsgn::topology::StrandPairing::redefine_begin_end(const class std::shared_ptr<const class protocols::fldsgn::topology::SS_Info2>, const class utility::vector1<std::string, class std::allocator<std::string > > &) –> void
- residue_pair(self: pyrosetta.rosetta.protocols.fldsgn.topology.StrandPairing, res: int) int ¶
residue pair
C++: protocols::fldsgn::topology::StrandPairing::residue_pair(const unsigned long) const –> unsigned long
- rgstr_shift(self: pyrosetta.rosetta.protocols.fldsgn.topology.StrandPairing) float ¶
the number of register shift between the strands
C++: protocols::fldsgn::topology::StrandPairing::rgstr_shift() const –> double
- s1(self: pyrosetta.rosetta.protocols.fldsgn.topology.StrandPairing) int ¶
the strand number of the 1st strand in strand pairing
C++: protocols::fldsgn::topology::StrandPairing::s1() const –> unsigned long
- s2(self: pyrosetta.rosetta.protocols.fldsgn.topology.StrandPairing) int ¶
the strand number of the 2nd strand in strand pairing
C++: protocols::fldsgn::topology::StrandPairing::s2() const –> unsigned long
- size1(self: pyrosetta.rosetta.protocols.fldsgn.topology.StrandPairing) int ¶
the length of 1st strand
C++: protocols::fldsgn::topology::StrandPairing::size1() const –> unsigned long
- size2(self: pyrosetta.rosetta.protocols.fldsgn.topology.StrandPairing) int ¶
the length of 2nd strand
C++: protocols::fldsgn::topology::StrandPairing::size2() const –> unsigned long
- class pyrosetta.rosetta.protocols.fldsgn.topology.StrandPairingSet¶
Bases:
pybind11_object
- assign(self: pyrosetta.rosetta.protocols.fldsgn.topology.StrandPairingSet, : pyrosetta.rosetta.protocols.fldsgn.topology.StrandPairingSet) pyrosetta.rosetta.protocols.fldsgn.topology.StrandPairingSet ¶
C++: protocols::fldsgn::topology::StrandPairingSet::operator=(const class protocols::fldsgn::topology::StrandPairingSet &) –> class protocols::fldsgn::topology::StrandPairingSet &
- clear(self: pyrosetta.rosetta.protocols.fldsgn.topology.StrandPairingSet) None ¶
clear data of this StrandPairingSet
C++: protocols::fldsgn::topology::StrandPairingSet::clear() –> void
- clone(self: pyrosetta.rosetta.protocols.fldsgn.topology.StrandPairingSet) pyrosetta.rosetta.protocols.fldsgn.topology.StrandPairingSet ¶
clone this object
C++: protocols::fldsgn::topology::StrandPairingSet::clone() const –> class std::shared_ptr<class protocols::fldsgn::topology::StrandPairingSet>
- drop_strand_pairs(self: pyrosetta.rosetta.protocols.fldsgn.topology.StrandPairingSet, drop_spairs: pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_fldsgn_topology_StrandPairing_t) None ¶
remove a set of strand pairings from datay
C++: protocols::fldsgn::topology::StrandPairingSet::drop_strand_pairs(const class utility::vector1<class std::shared_ptr<class protocols::fldsgn::topology::StrandPairing>, class std::allocator<class std::shared_ptr<class protocols::fldsgn::topology::StrandPairing> > > &) –> void
- finalize(self: pyrosetta.rosetta.protocols.fldsgn.topology.StrandPairingSet) None ¶
finalize this and create_map_strand_pairings
C++: protocols::fldsgn::topology::StrandPairingSet::finalize() –> void
- finalized(self: pyrosetta.rosetta.protocols.fldsgn.topology.StrandPairingSet) bool ¶
C++: protocols::fldsgn::topology::StrandPairingSet::finalized() const –> bool
- make_strand_neighbor_two(self: pyrosetta.rosetta.protocols.fldsgn.topology.StrandPairingSet) None ¶
make the number of strand pairing as two
C++: protocols::fldsgn::topology::StrandPairingSet::make_strand_neighbor_two() –> void
- name(self: pyrosetta.rosetta.protocols.fldsgn.topology.StrandPairingSet) str ¶
- the name of StrandPairingSet is expressed by the combination of strand pairings
For example, 2kl8 of ferredoxin-like fold is described as 1-3.A.0;2-3.A.0;1-4.A.0
C++: protocols::fldsgn::topology::StrandPairingSet::name() const –> std::string
- name_wo_rgstr(self: pyrosetta.rosetta.protocols.fldsgn.topology.StrandPairingSet) str ¶
- the name of StrandPairingSet without register shift
For example, 2kl8 of ferredoxin-like fold is described as 1-3.A;2-3.A;1-4.A
C++: protocols::fldsgn::topology::StrandPairingSet::name_wo_rgstr() const –> std::string
- neighbor_strands(self: pyrosetta.rosetta.protocols.fldsgn.topology.StrandPairingSet, s: int) pyrosetta.rosetta.utility.vector1_unsigned_long ¶
return strand number of neighbor strands of a input strand
C++: protocols::fldsgn::topology::StrandPairingSet::neighbor_strands(const unsigned long) const –> const class utility::vector1<unsigned long, class std::allocator<unsigned long> > &
- num_strands(self: pyrosetta.rosetta.protocols.fldsgn.topology.StrandPairingSet) int ¶
return all strand pairings
C++: protocols::fldsgn::topology::StrandPairingSet::num_strands() const –> unsigned long
- push_back(self: pyrosetta.rosetta.protocols.fldsgn.topology.StrandPairingSet, sop: pyrosetta.rosetta.protocols.fldsgn.topology.StrandPairing) None ¶
add StrandPairingOP to StandPairingSet
C++: protocols::fldsgn::topology::StrandPairingSet::push_back(const class std::shared_ptr<class protocols::fldsgn::topology::StrandPairing>) –> void
- push_back_and_finalize(self: pyrosetta.rosetta.protocols.fldsgn.topology.StrandPairingSet, sop: pyrosetta.rosetta.protocols.fldsgn.topology.StrandPairing) None ¶
add StrandPairingOP to StandPairingSet
C++: protocols::fldsgn::topology::StrandPairingSet::push_back_and_finalize(const class std::shared_ptr<class protocols::fldsgn::topology::StrandPairing>) –> void
- size(self: pyrosetta.rosetta.protocols.fldsgn.topology.StrandPairingSet) int ¶
C++: protocols::fldsgn::topology::StrandPairingSet::size() const –> unsigned long
- strand_pairing(*args, **kwargs)¶
Overloaded function.
strand_pairing(self: pyrosetta.rosetta.protocols.fldsgn.topology.StrandPairingSet, s: int) -> pyrosetta.rosetta.protocols.fldsgn.topology.StrandPairing
return one of the strand_pairings given a number
C++: protocols::fldsgn::topology::StrandPairingSet::strand_pairing(const unsigned long) const –> class std::shared_ptr<class protocols::fldsgn::topology::StrandPairing>
strand_pairing(self: pyrosetta.rosetta.protocols.fldsgn.topology.StrandPairingSet, s1: int, s2: int) -> pyrosetta.rosetta.protocols.fldsgn.topology.StrandPairing
- return the pointer of the strand pairing, given the two strand numbers of s1, and s2
if s1 and s2 does not make pairing, return 0
C++: protocols::fldsgn::topology::StrandPairingSet::strand_pairing(const unsigned long, const unsigned long) const –> class std::shared_ptr<class protocols::fldsgn::topology::StrandPairing>
- strand_pairings(self: pyrosetta.rosetta.protocols.fldsgn.topology.StrandPairingSet) pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_fldsgn_topology_StrandPairing_t ¶
return all strand pairings
C++: protocols::fldsgn::topology::StrandPairingSet::strand_pairings() const –> const class utility::vector1<class std::shared_ptr<class protocols::fldsgn::topology::StrandPairing>, class std::allocator<class std::shared_ptr<class protocols::fldsgn::topology::StrandPairing> > > &
- class pyrosetta.rosetta.protocols.fldsgn.topology.TripletID¶
Bases:
pybind11_object
- property helix¶
- property strand1¶
- property strand2¶
- pyrosetta.rosetta.protocols.fldsgn.topology.calc_delta_sasa(pose: pyrosetta.rosetta.core.pose.Pose, intervals: pyrosetta.rosetta.utility.vector1_protocols_forge_build_Interval, pore_radius: float) float ¶
calc delta sasa, when a molecule is splited to 2parts.
C++: protocols::fldsgn::topology::calc_delta_sasa(const class core::pose::Pose &, class utility::vector1<struct protocols::forge::build::Interval, class std::allocator<struct protocols::forge::build::Interval> >, const double) –> double
- pyrosetta.rosetta.protocols.fldsgn.topology.calc_strand_helix_angle(pose: pyrosetta.rosetta.core.pose.Pose, ssinfo: pyrosetta.rosetta.protocols.fldsgn.topology.SS_Info2, strand_id1: int, strand_id2: int, helix_id: int, geom_type: str) float ¶
C++: protocols::fldsgn::topology::calc_strand_helix_angle(const class core::pose::Pose &, const class std::shared_ptr<const class protocols::fldsgn::topology::SS_Info2>, const unsigned long, const unsigned long, const unsigned long, const std::string &) –> double
- pyrosetta.rosetta.protocols.fldsgn.topology.calc_strand_pairing_set(*args, **kwargs)¶
Overloaded function.
calc_strand_pairing_set(pose: pyrosetta.rosetta.core.pose.Pose, ssinfo: pyrosetta.rosetta.protocols.fldsgn.topology.SS_Info2) -> pyrosetta.rosetta.protocols.fldsgn.topology.StrandPairingSet
calc_strand_pairing_set(pose: pyrosetta.rosetta.core.pose.Pose, ssinfo: pyrosetta.rosetta.protocols.fldsgn.topology.SS_Info2, minimum_pair_length: int) -> pyrosetta.rosetta.protocols.fldsgn.topology.StrandPairingSet
convert StrandParingSet of dssp to fldsgn::topology::StrandPairingSet
C++: protocols::fldsgn::topology::calc_strand_pairing_set(const class core::pose::Pose &, const class std::shared_ptr<const class protocols::fldsgn::topology::SS_Info2>, unsigned long) –> class protocols::fldsgn::topology::StrandPairingSet
- pyrosetta.rosetta.protocols.fldsgn.topology.check_kink_helix(pose: pyrosetta.rosetta.core.pose.Pose, begin: int, end: int) int ¶
check kink of helix, return number of loosen hydrogen
C++: protocols::fldsgn::topology::check_kink_helix(const class core::pose::Pose &, const unsigned long, const unsigned long) –> unsigned long