OpenStructure
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Go to the source code of this file.
Data Structures | |
class | ClashingDistances |
List of reference atom-atom distances to detect clashes between non-bonded atoms. More... | |
class | StereoChemicalParams |
List of stereo chemical parameters (Bonds and angles) More... |
Namespaces | |
namespace | ost |
namespace | ost::mol |
namespace | ost::mol::alg |
Functions | |
ClashingDistances DLLEXPORT_OST_MOL_ALG | FillClashingDistances (std::vector< String > &stereo_chemical_props_file) |
StereoChemicalParams DLLEXPORT_OST_MOL_ALG | FillStereoChemicalParams (const String &header, std::vector< String > &stereo_chemical_props_file) |
EntityView DLLEXPORT_OST_MOL_ALG | FilterClashes (const EntityView &ent, const ClashingDistances &min_distances, bool always_remove_bb=false) |
EntityView DLLEXPORT_OST_MOL_ALG | FilterClashes (const EntityHandle &ent, const ClashingDistances &min_distances, bool always_remove_bb=false) |
EntityView 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) |
EntityView 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) |