Package schrodinger :: Package application :: Package lid :: Package lid2d :: Module rotate
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Module rotate

Functions [hide private]
 
do_terminal_rotatable_bonds(terminal_rotatable_bonds, rings, best_ct3d_in_2dcoord_all, b_ct2d_all, b_ct2d, all_atom_connections, all_atom_connections_all, adj_list, adj_list_all, ct2d_scaled, atom3d_mapping, bond_to_ring, parameters)
 
rotate_bond_test_and_return_best(ligand_st, b_ct2d, b_ct2d_all, b_ct2d_scaled, b_ct3d_in_2dcoord_all, ct2d, ct2d_all, ct2d_scaled, idx1, idx2, all_atom_connections, atom3d_mapping, adj_list, adj_list_all, ct3d_in_2dcoord_all, ct3d_atoms, ct2d_atoms, pl, prev_rmsd_result_arg, best_rmsd_result, all_rotatable_bonds_not_used, output_file_name_prefix, fixed_string, bond_to_ring, all_atom_connections_all, all_bonds, prefix, return_even_if_not_best=False, return_on_overlap=True, always_add_to_adj_list=False, assume_no_overlap_in_previous=True, parameters={})
 
create_bonds_checked_string(bonds_checked, idx1, idx2)
 
rotate_all_bonds_and_save_path_sorted(ligand_st, all_rotatable_bonds, all_rotatable_bonds_not_used, ct2d, ct2d_atoms, ct2d_all, ct2d_scaled, all_atom_connections, atom3d_mapping, ct3d_in_2dcoord_all, ct3d_atoms, best_rmsd_result_arg, output_file_name_prefix, fixed_string, prefix, bond_to_ring, all_atom_connections_all, sorted_paths, terminal_rotatable_bonds, rings, all_bonds, parameters={}, progress_callback=None)
 
rotate_all_bonds_and_save(ligand_st, all_rotatable_bonds, all_rotatable_bonds_not_used, ct2d, ct2d_atoms, ct2d_all, ct2d_scaled, all_atom_connections, atom3d_mapping, ct3d_in_2dcoord_all, ct3d_atoms, best_rmsd_result_arg, output_file_name_prefix, fixed_string, prefix, bond_to_ring, all_atom_connections_all, terminal_rotatable_bonds, rings, all_bonds, parameters={})
 
rotate_bonds_in_order_and_save(ligand_st, all_rotatable_bonds, all_rotatable_bonds_not_used, ct2d, ct2d_atoms, ct2d_all, ct2d_scaled, all_atom_connections, atom3d_mapping, ct3d_in_2dcoord_all, ct3d_atoms, best_rmsd_result_arg, output_file_name_prefix, fixed_string, prefix, bond_to_ring, all_atom_connections_all, terminal_rotatable_bonds, rings, all_bonds, parameters={})
Variables [hide private]
  logger = log.get_logger("lid2d")
  red = [255, 0, 0, 255]
  __package__ = 'schrodinger.application.lid.lid2d'