Module _protocols_ligand_docking_ligand_options_

Classes

[hide private]

Interface
For each residue is it in the interface, a mobile region or a non-mobile region?

InterfaceAP

InterfaceCAP

InterfaceInfo
info for each residue- is it part of the interface and if so, what ligands is it near

InterfaceInfoAP

InterfaceInfoCAP

Functions

[hide private]

check_all_ligand_atoms(...)
check_all_ligand_atoms( (Residue)ligand_interface_residue, (xyzVector_Real)potential_interface_vector, (float)cutoff) -> bool : protocols/ligand_docking/ligand_options/interface_distance_functions.hh:37

check_neighbor_ligand_atom(...)
check_neighbor_ligand_atom( (Residue)ligand_interface_residue, (xyzVector_Real)potential_interface_vector, (float)cutoff) -> bool : protocols/ligand_docking/ligand_options/interface_distance_functions.hh:43

is_interface_vector(...)
is_interface_vector( (xyzVector_Real)questionable_vector, (xyzVector_Real)ligand_vector, (float)cutoff_squared) -> bool : protocols/ligand_docking/ligand_options/interface_distance_functions.hh:49

Variables

[hide private]

__package__ = None

Function Details

[hide private]

check_all_ligand_atoms(...)


check_all_ligand_atoms( (Residue)ligand_interface_residue, (xyzVector_Real)potential_interface_vector, (float)cutoff) -> bool :
    protocols/ligand_docking/ligand_options/interface_distance_functions.hh:37

    C++ signature :
        bool check_all_ligand_atoms(core::conformation::Residue,numeric::xyzVector<double>,double)

check_neighbor_ligand_atom(...)


check_neighbor_ligand_atom( (Residue)ligand_interface_residue, (xyzVector_Real)potential_interface_vector, (float)cutoff) -> bool :
    protocols/ligand_docking/ligand_options/interface_distance_functions.hh:43

    C++ signature :
        bool check_neighbor_ligand_atom(core::conformation::Residue,numeric::xyzVector<double>,double)

is_interface_vector(...)


is_interface_vector( (xyzVector_Real)questionable_vector, (xyzVector_Real)ligand_vector, (float)cutoff_squared) -> bool :
    protocols/ligand_docking/ligand_options/interface_distance_functions.hh:49

    C++ signature :
        bool is_interface_vector(numeric::xyzVector<double>,numeric::xyzVector<double>,double)