Rosetta 3.4
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src/protocols/toolbox/pose_manipulation.hh File Reference

some general functions to manipulate poses. feel free to add your own More...

#include <core/types.hh>
#include <utility/vector1.fwd.hh>
#include <core/pose/Pose.fwd.hh>
#include <core/chemical/ResidueType.fwd.hh>
#include <utility/vector1.hh>

Namespaces

namespace  protocols
 

The instance of Loops contained by AbrelaxApplication should be replaced by a LoopsOP.


namespace  protocols::toolbox
namespace  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 keep_pro, bool keep_gly, bool keep_disulfide_cys)
 puts in ala residues at the positions specified in the 'positions' input array
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 keep_pro, bool keep_gly, bool keep_disulfide_cys)
 allows construction of a polymer of any residue type
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
void protocols::toolbox::pose_manipulation::remove_non_protein_residues (core::pose::Pose &pose)
 deletes all nonprotein residues from a pose
void protocols::toolbox::pose_manipulation::add_chainbreaks_according_to_jumps (core::pose::Pose &pose)
 adds chainbreak residue types depending on fold tree jumps
void protocols::toolbox::pose_manipulation::remove_chainbreaks_according_to_jumps (core::pose::Pose &pose)
 removes chainbreak residue types depending on fold tree jumps
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
core::pose::Pose protocols::toolbox::pose_manipulation::insert_pose_into_pose (core::pose::Pose const &scaffold_pose, core::pose::Pose const &insert_pose, core::Size const insert_loop_start, core::Size const insert_point, core::Size &insert_loop_end, core::Size const cycles=1500)
 inserts one pose into another pose, returning the product as a new value. This is basically a seed for a domain insertion application. The three core::Size arguments define a flexible surface loop on the scaffold, the insert pose will be added immediately after insert_point. The insert will be left unchanged in internal-coordinate space except for the phi on the first residue, and the psi/omega on the last residue, and atoms whose bonding partners change as a result of the insertion. Note that insert_loop_end is pass-by-reference: this field will be updated to reflect its numbering in the result pose (post-insertion).

Detailed Description

some general functions to manipulate poses. feel free to add your own

if you add your own, please mention your name:)

Author:
Florian Richter, floric@u.washington.edu
Steven Lewis, smlewi@gmail.com (insert_pose_into_pose) domain insertion code
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