qp.structure.convert_nhie_oxo.convert_akg_to_sin¶
- qp.structure.convert_nhie_oxo.convert_akg_to_sin(atoms)[source]¶
Convert alpha-ketoglutarate (AKG) to succinate (SIN).
Removes the C1 carbonyl oxygens and converts C1 to an oxo group, simulating the decarboxylation that occurs during NHIE catalysis. Atoms are modified in place; deleted atoms have
record = 'DELETE'.- Parameters:
atoms (list of dict) – Atom records from
read_pdb()(modified in place).