OpenStructure
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#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) |