qp.protonate.fix.fix_OXT

qp.protonate.fix.fix_OXT(path: str) → None

Fix corrupted C-terminal OXT atoms by reflecting their coordinates.

When the OXT and O atoms of a C-terminal residue are too close (< 1.8 A), the O atom is reflected across the CA–C bond axis to restore correct geometry. The PDB file is overwritten in place.

Parameters:

path (str) – Path to the PDB file (modified in place).