- python3 amd64 (>= 3.13~)
PDBFixer is an application for fixing problems in Protein Data Bank files in
preparation for simulating them. It can automatically fix the following
problems:
.
- Add missing heavy atoms.
- Add missing hydrogen atoms.
- Build missing loops.
- Convert non-standard residues to their standard equivalents.
- Select a single position for atoms with multiple alternate positions listed.
- Delete unwanted chains from the model.
- Delete unwanted heterogens.
- Build a water box for explicit solvent simulations.
Installed Size: 2.5 MB
Architectures: all