Sha256: e1ba9fd2e31271e0fc48305b8537e964ebe3445b1a4bfaac598be538cbfa01bf
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Versions: 19
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Stored size: 1.98 KB
Contents
Visit= Visit duplicate set_idx set_id set_hyb set_atomic_num set_isotope set_implicit_valence increment_implicit_valence decrement_implicit_valence set_formal_charge set_spin_multiplicity set_type set_partial_charge set_coord_ptr set_vector set_residue set_parent set_aromatic unset_aromatic set_clockwise_stereo set_anti_clockwise_stereo set_positive_stereo set_negative_stereo unset_stereo set_in_ring set_chiral clear_coord_ptr get_formal_charge get_atomic_num get_isotope get_spin_multiplicity get_atomic_mass get_exact_mass get_idx get_index get_id get_coordinate_idx get_cidx get_valence get_hyb get_implicit_valence get_hvy_valence get_hetero_valence get_type get_x get_y get_z x y z get_coordinate get_vector get_partial_charge get_residue get_parent get_new_bond_vector get_bond get_next_atom begin_bonds end_bonds begin_bond next_bond begin_nbr_atom next_nbr_atom get_distance get_angle new_residue add_residue delete_residue add_bond insert_bond delete_bond clear_bond hto_methyl set_hyb_and_geom force_no_h has_no_hforced force_impl_h has_impl_hforced count_free_oxygens implicit_hydrogen_count explicit_hydrogen_count member_of_ring_count member_of_ring_size count_ring_bonds smallest_bond_angle average_bond_angle bosum kbosum has_residue is_hydrogen is_carbon is_nitrogen is_oxygen is_sulfur is_phosphorus is_aromatic is_in_ring is_in_ring_size is_heteroatom is_not_cor_h is_connected is_one_three is_one_four is_carboxyl_oxygen is_phosphate_oxygen is_sulfate_oxygen is_nitro_oxygen is_amide_nitrogen is_polar_hydrogen is_non_polar_hydrogen is_aromatic_noxide is_chiral is_axial is_clockwise is_anti_clockwise is_positive_stereo is_negative_stereo has_chirality_specified has_chiral_volume is_hbond_acceptor is_hbond_donor is_hbond_donor_h has_alpha_beta_unsat has_bond_of_order count_bonds_of_order has_non_single_bond has_single_bond has_double_bond has_aromatic_bond matches_smarts clear do_transformations get_title set_title has_data delete_data clone_data data_size get_all_data get_data begin_data end_data
Version data entries
19 entries across 19 versions & 3 rubygems