OpenStructure
Data Structures | Namespaces | Functions
local_dist_diff_test.hh File Reference
#include <ost/mol/alg/module_config.hh>
#include <ost/mol/entity_handle.hh>
#include <ost/seq/alignment_handle.hh>
#include <ost/mol/alg/distance_test_common.hh>
#include <ost/mol/alg/filter_clashes.hh>

Go to the source code of this file.

Data Structures

struct  StereoChemicalProps
 
struct  lDDTSettings
 
struct  lDDTLocalScore
 
class  lDDTScorer
 

Namespaces

 ost
 
 ost::mol
 
 ost::mol::alg
 

Functions

std::pair< int, int > DLLEXPORT_OST_MOL_ALG ComputeCoverage (const EntityView &v, const GlobalRDMap &glob_dist_list)
 
bool DLLEXPORT_OST_MOL_ALG IsResnumInGlobalRDMap (const ResNum &resnum, const GlobalRDMap &glob_dist_list)
 
std::pair< long int, long int > DLLEXPORT_OST_MOL_ALG LocalDistDiffTest (const EntityView &mdl, const GlobalRDMap &dist_list, std::vector< Real > cutoff_list, int sequence_separation=0, const String &local_ldt_property_string="")
 
Real DLLEXPORT_OST_MOL_ALG LocalDistDiffTest (const EntityView &mdl, const EntityView &target, Real cutoff, Real max_dist, const String &local_ldt_property_string="")
 
Real DLLEXPORT_OST_MOL_ALG LocalDistDiffTest (const EntityView &v, std::vector< EntityView > &ref_list, const GlobalRDMap &glob_dist_list, lDDTSettings &settings)
 
Real DLLEXPORT_OST_MOL_ALG LocalDistDiffTest (const ost::seq::AlignmentHandle &aln, Real cutoff, Real max_dist, int ref_index=0, int mdl_index=1)
 
Real DLLEXPORT_OST_MOL_ALG LDDTHA (EntityView &v, const GlobalRDMap &global_dist_list, int sequence_separation=0)
 
GlobalRDMap DLLEXPORT_OST_MOL_ALG CreateDistanceList (const EntityView &ref, Real max_dist)
 
GlobalRDMap DLLEXPORT_OST_MOL_ALG CreateDistanceListFromMultipleReferences (const std::vector< EntityView > &ref_list, std::vector< Real > &cutoff_list, int sequence_separation, Real max_dist)
 
void DLLEXPORT_OST_MOL_ALG PrintGlobalRDMap (const GlobalRDMap &glob_dist_list)
 
void DLLEXPORT_OST_MOL_ALG PrintResidueRDMap (const ResidueRDMap &res_dist_list)
 
bool DLLEXPORT_OST_MOL_ALG IsStandardResidue (String rn)
 
void DLLEXPORT_OST_MOL_ALG CleanlDDTReferences (std::vector< EntityView > &ref_list)
 
GlobalRDMap DLLEXPORT_OST_MOL_ALG PreparelDDTGlobalRDMap (const std::vector< EntityView > &ref_list, std::vector< Real > &cutoff_list, int sequence_separation, Real max_dist)
 
void DLLEXPORT_OST_MOL_ALG CheckStructure (EntityView &ent, StereoChemicalParams &bond_table, StereoChemicalParams &angle_table, ClashingDistances &nonbonded_table, Real bond_tolerance, Real angle_tolerance)
 
std::vector< lDDTLocalScore > DLLEXPORT_OST_MOL_ALG GetlDDTPerResidueStats (EntityView &model, GlobalRDMap &glob_dist_list, bool structural_checks, String label)
 
void DLLEXPORT_OST_MOL_ALG PrintlDDTPerResidueStats (std::vector< lDDTLocalScore > &scores, bool structural_checks, int cutoffs_length)