#include "model.hpp"
#include "seqalign.hpp"
#include "qcp.hpp"
#include "polyheur.hpp"
Go to the source code of this file.
|
std::vector< int > | gemmi::prepare_target_gapo (const ConstResidueSpan &polymer, PolymerType polymer_type, const AlignmentScoring *scoring=nullptr) |
|
AlignmentResult | gemmi::align_sequence_to_polymer (const std::vector< std::string > &full_seq, const ConstResidueSpan &polymer, PolymerType polymer_type, const AlignmentScoring *scoring=nullptr) |
|
bool | gemmi::seqid_matches_seqres (const ConstResidueSpan &polymer, const Entity &ent) |
|
void | gemmi::clear_sequences (Structure &st) |
|
GEMMI_DLL void | gemmi::assign_best_sequences (Structure &st, const std::vector< std::string > &fasta_sequences) |
|
void | gemmi::assign_label_seq_to_polymer (ResidueSpan &polymer, const Entity *ent, bool force) |
|
void | gemmi::clear_label_seq_id (Structure &st) |
|
void | gemmi::assign_label_seq_id (Structure &st, bool force) |
|
void | gemmi::prepare_positions_for_superposition (std::vector< Position > &pos1, std::vector< Position > &pos2, ConstResidueSpan fixed, ConstResidueSpan movable, PolymerType ptype, SupSelect sel, char altloc='\0', std::vector< int > *ca_offsets=nullptr) |
|
SupResult | gemmi::calculate_current_rmsd (ConstResidueSpan fixed, ConstResidueSpan movable, PolymerType ptype, SupSelect sel, char altloc='\0') |
|
SupResult | gemmi::calculate_superposition (ConstResidueSpan fixed, ConstResidueSpan movable, PolymerType ptype, SupSelect sel, int trim_cycles=0, double trim_cutoff=2.0, char altloc='\0') |
|
std::vector< SupResult > | gemmi::calculate_superpositions_in_moving_window (ConstResidueSpan fixed, ConstResidueSpan movable, PolymerType ptype, double radius=10.0) |
|