Rosetta
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#include <core/types.hh>
#include <core/id/SequenceMapping.hh>
#include <core/sequence/RichSequenceMapping.hh>
#include <core/scoring/func/MixtureFunc.hh>
#include <core/scoring/func/HarmonicFunc.hh>
#include <core/scoring/constraints/ConstraintSet.hh>
#include <core/scoring/constraints/ConstraintSet.fwd.hh>
#include <core/scoring/constraints/AtomPairConstraint.hh>
#include <core/id/AtomID.hh>
#include <core/pose/Pose.hh>
#include <basic/options/option.hh>
#include <ObjexxFCL/format.hh>
#include <ObjexxFCL/string.functions.hh>
#include <iosfwd>
#include <string>
#include <sstream>
#include <basic/options/keys/constraints.OptionKeys.gen.hh>
Functions | |
void | add_constraints (core::pose::Pose *pose, std::string fn) |
void | create_starting_template (core::pose::Pose &pose, std::string fn) |
reads a .homolog_stats file with information from templates, creates a starting structure with appropriate constraints added. Assumes as input an extended Pose with the proper sequence. Backbone torsions from the template structure are copied into into aligned residues within the provided pose, and sidechain torsions are copied if the amino acids at this position are identical. More... | |
void add_constraints | ( | core::pose::Pose * | pose, |
std::string | fn | ||
) |
References a, ObjexxFCL::abs(), compute_difference::b, kmeans_adaptive_kernel_density_bb_dependent_rotlib::c, utility::io::oc::cerr, basic::options::OptionKeys::constraints::constraints, data, dist(), utility::options::OptionKeys::options::exit, kmeans_adaptive_kernel_density_bb_dependent_rotlib::fn, getline(), basic::init(), line, constraints::max_cst_dist(), option, beta_nonlocal::pose, SmotifHasher::query_id, pna::resi, and basic::options::OptionKeys::cmiles::jumping::resj.
void create_starting_template | ( | core::pose::Pose & | pose, |
std::string | fn | ||
) |
reads a .homolog_stats file with information from templates, creates a starting structure with appropriate constraints added. Assumes as input an extended Pose with the proper sequence. Backbone torsions from the template structure are copied into into aligned residues within the provided pose, and sidechain torsions are copied if the amino acids at this position are identical.
References a, ObjexxFCL::abs(), compute_difference::b, kmeans_adaptive_kernel_density_bb_dependent_rotlib::c, utility::io::oc::cerr, utility::io::oc::cout, data, dist(), utility::options::OptionKeys::options::exit, kmeans_adaptive_kernel_density_bb_dependent_rotlib::fn, getline(), create_a3b_hbs::i, line, beta_nonlocal::pose, pyrosetta.distributed.io::pose_from_file, SmotifHasher::query_id, pna::resi, basic::options::OptionKeys::cmiles::jumping::resj, and internal_coordinates::torsions.