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Rosetta
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some general functions to manipulate poses. feel free to add your own More...
#include <core/types.hh>#include <core/chemical/ResidueType.fwd.hh>#include <core/chemical/ResidueTypeSet.fwd.hh>#include <core/scoring/ScoreFunction.fwd.hh>#include <core/select/residue_selector/ResidueSelector.fwd.hh>#include <core/pose/Pose.fwd.hh>#include <numeric/xyzVector.hh>#include <utility/vector1.hh>Namespaces | |
| protocols | |
| The instance of Loops contained by AbrelaxApplication should be replaced by a LoopsOP. | |
| protocols::toolbox | |
| protocols::toolbox::pose_manipulation | |
Functions | |
| void | protocols::toolbox::pose_manipulation::construct_poly_ala_pose (core::pose::Pose &pose, utility::vector1< core::Size > const &positions, bool const keep_pro, bool const keep_gly, bool const keep_disulfide_cys) |
| puts in ala residues at the positions specified in the 'positions' input array More... | |
| void | protocols::toolbox::pose_manipulation::construct_poly_d_ala_pose (core::pose::Pose &pose, utility::vector1< core::Size > const &positions, bool const keep_pro, bool const keep_gly, bool const keep_disulfide_cys) |
| puts in D-ala residues at the positions specified in the 'positions' input array More... | |
| void | protocols::toolbox::pose_manipulation::construct_poly_beta_ala_pose (core::pose::Pose &pose, utility::vector1< core::Size > const &positions, bool const keep_pro, bool const keep_gly, bool const keep_disulfide_cys) |
| puts in beta-3-ala residues at the positions specified in the 'positions' input array. More... | |
| void | protocols::toolbox::pose_manipulation::construct_poly_d_beta_ala_pose (core::pose::Pose &pose, utility::vector1< core::Size > const &positions, bool const keep_pro, bool const keep_gly, bool const keep_disulfide_cys) |
| puts in D-beta-3-ala residues at the positions specified in the 'positions' input array More... | |
| void | protocols::toolbox::pose_manipulation::construct_poly_uniq_restype_pose (core::pose::Pose &pose, utility::vector1< core::Size > const &positions, core::chemical::ResidueType const &restype, bool const keep_pro, bool const keep_gly, bool const keep_disulfide_cys) |
| allows construction of a polymer of any residue type More... | |
| void | protocols::toolbox::pose_manipulation::construct_poly_XXX_pose (std::string const &aa, core::pose::Pose &pose, utility::vector1< core::Size > const &positions, bool keep_pro, bool keep_gly, bool keep_disulfide_cys) |
| puts in XXX residues at the positions specified in the 'positions' input array More... | |
| void | protocols::toolbox::pose_manipulation::construct_poly_XXX_pose (std::string const &aa, core::pose::Pose &pose, utility::vector1< core::Size > const &positions, core::chemical::ResidueTypeSetCOP restype_set, bool keep_pro, bool keep_gly, bool keep_disulfide_cys) |
| puts in XXX residues at the positions from the given residue typeset specified in the 'positions' input array More... | |
| void | protocols::toolbox::pose_manipulation::remove_non_protein_residues (core::pose::Pose &pose) |
| deletes all nonprotein residues from a pose More... | |
| void | protocols::toolbox::pose_manipulation::add_chainbreaks_according_to_jumps (core::pose::Pose &pose) |
| adds chainbreak residue types depending on fold tree jumps More... | |
| void | protocols::toolbox::pose_manipulation::remove_chainbreaks_according_to_jumps (core::pose::Pose &pose) |
| removes chainbreak residue types depending on fold tree jumps More... | |
| core::Real | protocols::toolbox::pose_manipulation::superimpose_pose_on_subset_CA (core::pose::Pose &pose, core::pose::Pose const &ref_pose, utility::vector1< core::Size > const &positions, int const offset=0) |
| superimposes one pose onto the other at the positions specified and More... | |
| void | protocols::toolbox::pose_manipulation::repack_this_residue (core::Size seq_pos, core::pose::Pose &pose, core::scoring::ScoreFunctionOP scorefxn, bool include_current=true, std::string name1s_if_design="") |
| Repack a single residue @detail Repacks a single residue using the command-line flags A list of amino acid name1s may be provided if one wishes to design. Leaving this "" or default implies no design. More... | |
| void | protocols::toolbox::pose_manipulation::repack_these_residues (core::select::residue_selector::ResidueSubset const &subset, core::pose::Pose &pose, core::scoring::ScoreFunctionOP scorefxn, bool include_current=true, std::string name1s_if_design="") |
| Repack a subset of residues @detail Repacks a multiple residues using the command-line flags A list of amino acid name1s may be provided if one wishes to design. Leaving this "" or default implies no design. More... | |
| void | protocols::toolbox::pose_manipulation::rigid_body_move (numeric::xyzVector< core::Real > const &rotation_unit_vector, core::Real angle_deg, numeric::xyzVector< core::Real > const &translation_vector, core::pose::Pose &pose, core::select::residue_selector::ResidueSubset const &subset, numeric::xyzVector< core::Real > center_of_rotation=numeric::xyzVector< core::Real >(std::numeric_limits< core::Real >::quiet_NaN(), 0, 0)) |
| Performs a rigid body rotation then translation of a section of a pose given by a ResidueSubset. By default this routine will find the CA center of mass of the subset and use that as the center of rotation. More... | |
| void | protocols::toolbox::pose_manipulation::rigid_body_move (numeric::xyzVector< core::Real > const &rotation_unit_vector, core::Real angle_deg, numeric::xyzVector< core::Real > const &translation_vector, core::Real translation_scalar, core::pose::Pose &pose, core::select::residue_selector::ResidueSubset const &subset, numeric::xyzVector< core::Real > center_of_rotation=numeric::xyzVector< core::Real >(std::numeric_limits< core::Real >::quiet_NaN(), 0, 0)) |
| Performs a rigid body rotation then translation of a section of a pose given by a ResidueSubset. By default this routine will find the CA center of mass of the subset and use that as the center of rotation. More... | |
| void | protocols::toolbox::pose_manipulation::rigid_body_move (numeric::xyzMatrix< core::Real > rotation, numeric::xyzVector< core::Real > const &translation_vector, core::pose::Pose &pose, core::select::residue_selector::ResidueSubset const &subset, numeric::xyzVector< core::Real > center_of_rotation=numeric::xyzVector< core::Real >(std::numeric_limits< core::Real >::quiet_NaN(), 0, 0)) |
| Performs a rigid body rotation then translation of a section of a pose given by a ResidueSubset. By default this routine will find the CA center of mass of the subset and use that as the center of rotation. More... | |
| void | protocols::toolbox::pose_manipulation::rigid_body_move (numeric::xyzMatrix< core::Real > rotation, numeric::xyzVector< core::Real > const &translation_vector, core::Real translation_scalar, core::pose::Pose &pose, core::select::residue_selector::ResidueSubset const &subset, numeric::xyzVector< core::Real > center_of_rotation=numeric::xyzVector< core::Real >(std::numeric_limits< core::Real >::quiet_NaN(), 0, 0)) |
| Performs a rigid body rotation then translation of a section of a pose given by a ResidueSubset. By default this routine will find the CA center of mass of the subset and use that as the center of rotation. More... | |
some general functions to manipulate poses. feel free to add your own
if you add your own, please mention your name:)
1.9.1