OpenStructure
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#include <ost/mol/entity_view.hh>
#include <ost/mol/alg/module_config.hh>
#include <ost/mol/alg/distance_test_common.hh>
Go to the source code of this file.
Data Structures | |
class | BondLengthInfo |
class | ClashEvent |
class | ClashingInfo |
class | StereoChemicalBondViolation |
class | StereoChemicalAngleViolation |
class | StereoChemistryInfo |
class | ClashingDistances |
class | StereoChemicalParams |
Namespaces | |
ost | |
ost::mol | |
ost::mol::alg | |
Functions | |
ClashingDistances DLLEXPORT_OST_MOL_ALG | FillClashingDistances (std::vector< String > &stereo_chemical_props_file, bool check=false) |
StereoChemicalParams DLLEXPORT_OST_MOL_ALG | FillStereoChemicalParams (const String &header, std::vector< String > &stereo_chemical_props_file, bool check=false) |
std::pair< EntityView, ClashingInfo > DLLEXPORT_OST_MOL_ALG | FilterClashes (const EntityView &ent, const ClashingDistances &min_distances, bool always_remove_bb=false) |
std::pair< EntityView, ClashingInfo > DLLEXPORT_OST_MOL_ALG | FilterClashes (const EntityHandle &ent, const ClashingDistances &min_distances, bool always_remove_bb=false) |
std::pair< EntityView, StereoChemistryInfo > DLLEXPORT_OST_MOL_ALG | CheckStereoChemistry (const EntityView &ent, const StereoChemicalParams &bond_table, const StereoChemicalParams &angle_table, Real bond_tolerance, Real angle_tolerance, bool always_remove_bb=false) |
std::pair< EntityView, StereoChemistryInfo > DLLEXPORT_OST_MOL_ALG | CheckStereoChemistry (const EntityHandle &ent, const StereoChemicalParams &bond_table, const StereoChemicalParams &angle_table, Real bond_tolerance, Real angle_tolerance, bool always_remove_bb=false) |