List of all items
Structs
Functions
- ob::OBConversion_get_supported_input_format
- ob::OBConversion_get_supported_output_format
- ob::OBConversion_new
- ob::OBConversion_read_file
- ob::OBConversion_read_string
- ob::OBConversion_set_in_and_out_formats
- ob::OBConversion_set_in_format
- ob::OBConversion_set_out_format
- ob::OBConversion_write_file
- ob::OBConversion_write_string
- ob::OBFingerprint_get_fingerprint
- ob::OBForceField_conjugate_gradients
- ob::OBForceField_conjugate_gradients_initialize
- ob::OBForceField_conjugate_gradients_take_n_steps
- ob::OBForceField_energy
- ob::OBForceField_find_forcefield
- ob::OBForceField_is_setup_needed
- ob::OBForceField_setup
- ob::OBForceField_steepest_descent
- ob::OBForceField_steepest_descent_initialize
- ob::OBForceField_steepest_descent_take_n_steps
- ob::OBMol_from_smiles
- ob::OBMol_get_mol_wt
- ob::OBMol_new
- ob::OBMol_num_atoms
- ob::OBMol_num_bonds
- ob::OBMol_num_hvy_atoms
- ob::OBSmartsPattern_from_smarts
- ob::OBSmartsPattern_match
- ob::OBSmartsPattern_num_atoms
- ob::OBSmartsPattern_num_bonds
- ob::OBSmartsPattern_num_matches
- ob::print_global_instances