Structure Preparation¶
- Add hydrogens to design unit
- Create DU From Pockets
- Create DU from f-pocket pockets
- DU Validator
- Input PDB codes
- Input PDB/MMCIF/MTZ files
- Loop Builder
- Make Design Unit from Target
- Make Design Unit from Target and Ligand
- Spruce Depiction
- Spruce Prep
- Spruce Prep for MMDS
- Spruce Prep for MMDS - Find duplicate PDB IDs
- Spruce depiction cube for MMDS
- Structure Standardization