PDBFixer

Repair structures: add missing atoms and residues

PDBFixer repairs protein structures for simulation and modeling by adding missing atoms, residues, hydrogens, disulfides and solvent, and by converting common non-standard residues. It wraps OpenMM data structures for direct downstream use. A prerequisite step before energy minimization and docking.

PDBFixer is being onboarded — request access and be first in line.