util.hh File Reference

Utilities to help in selecting residues. More...

#include <core/select/residue_selector/ResidueSelector.fwd.hh>
#include <core/pose/Pose.fwd.hh>
#include <utility/vector1.hh>
#include <core/id/AtomID.fwd.hh>
#include <core/types.hh>
#include <set>

Namespaces
	core
	A class for reading in the atom type properties.
	core::select

Functions
utility::vector1< Size >	core::select::get_residues_from_subset (utility::vector1< bool > const &subset, bool select=true)
	Get a vector1 of the indexes which are the same value as 'select' in the ResidueSubset. More...
std::set< core::Size >	core::select::get_residue_set_from_subset (utility::vector1< bool > const &subset, bool select=true)
	Get a std::set of the indexes which are the same value as 'select' in the ResidueSubset. More...
utility::vector1< bool >	core::select::get_subset_from_residues (utility::vector1< core::Size > const &selection, core::Size total_nres, bool invert=false)
	Get a vector1 of true/false (a ResidueSubset) from a list of residue numbers. More...
core::select::residue_selector::ResidueSelectorOP	core::select::get_residue_selector_from_subset (core::select::residue_selector::ResidueSubset subset)
	Convert a residue subset back into a residue selector. @detail Not only does this allow one to go from a residue subset back to a selector, but by applying a selector to a pose and using this to go back to a selector, one can turn context-dependent residue selectors into context-independent residue selectors. More...
utility::vector1< bool >	core::select::get_neighbor_residues (core::pose::Pose const &pose, utility::vector1< bool > const &residue_positions, core::Real neighbor_dis)
	Get a boolean vector of neighbor residues given some distance < 10A. More...
void	core::select::fill_neighbor_residues (core::pose::Pose const &pose, utility::vector1< bool > &residue_positions, core::Real neighbor_dis=10.0)
	Fill a boolean vector of residues with neighboring residues. More...
utility::vector1< bool >	core::select::trim_neighbors_by_distance (core::pose::Pose const &pose, utility::vector1< bool > const &selection, utility::vector1< bool > const &selection_and_neighbors, core::Real &dist_cutoff)
	filter neighbors to a certain CB distance. Takes distance from selection to neighbors to trim neighbors. More...
void	core::select::filter_neighbors_by_distance (core::pose::Pose const &pose, utility::vector1< bool > const &selection, utility::vector1< bool > &selection_and_neighbors, core::Real &dist_cutoff)
	filter neighbors to a certain CB distance. Takes distance from selection to neighbors to trim neighbors. More...
utility::vector1< bool >	core::select::get_tenA_neighbor_residues (core::pose::Pose const &pose, utility::vector1< bool > const &residue_positions)
	Get neighbor residues within 10 A CB distance cutoff using the 10 A neighbor graph in energies. Returns ONLY the neighbor residues. More...
void	core::select::fill_tenA_neighbor_residues (pose::Pose const &pose, utility::vector1< bool > &residue_positions)
	Fill neighbor residues within 10 A CB distance cutoff using the 10 A neighbor graph in energies into the boolean vector. More...
std::string	core::select::get_pymol_selection_for_atoms (pose::Pose const &pose, utility::vector1< id::AtomID > const &atoms, std::string const &sele_name, bool skip_virts=true)
	Return a pymol selection of a set of atoms. More...
utility::vector1< bool >	core::select::get_master_subunit_selection (pose::Pose const &pose, utility::vector1< bool > const &full_subset)
	This is for a 'symmetrical' selection (iE Normal selection for symmetrical poses!). Turns off all residues that are not part of the master subunit. More...

Detailed Description

Utilities to help in selecting residues.

Author

Jared Adolf-Bryfogle (jadol.nosp@m.fbr@.nosp@m.gmail.nosp@m..com)