Rosetta  2021.16
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cst_util.hh File Reference

set of functions for adding constraints used in relax More...

#include <core/types.hh>
#include <core/pose/Pose.fwd.hh>
#include <core/scoring/constraints/ConstraintSet.fwd.hh>
#include <core/scoring/ScoreType.hh>
#include <core/sequence/SequenceAlignment.fwd.hh>
#include <utility/vector1.hh>


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


void protocols::relax::coordinate_constrain_selection (core::pose::Pose &pose, core::sequence::SequenceAlignment aln, core::Real coord_sdev)
core::scoring::constraints::ConstraintSetOP protocols::relax::generate_bb_coordinate_constraints (core::pose::Pose &pose, utility::vector1< core::Real > const &coord_sdevs)
 Generate a set of coordinate constraints to backbone atoms using the given standard deviations, with one sd per-reside. If no constraint should be applied to a given residue, give a -1 for the value of the sdev. More...
utility::vector1< core::Realprotocols::relax::get_per_residue_scores (core::pose::Pose &pose, core::scoring::ScoreType scoretype)
void protocols::relax::add_virtual_residue_to_cterm (core::pose::Pose &pose)
void protocols::relax::delete_virtual_residues (core::pose::Pose &pose)
void protocols::relax::derive_sc_sc_restraints (core::pose::Pose &pose, core::Real const upper_dist_cutoff)

Detailed Description

set of functions for adding constraints used in relax

small bundle of utilities for incorporating constraints into relax

James Thompson