Datasets:
| # Converting the 111 downloaded mmCIF structures to cleaned PDB files | |
| # After downloading 111 missing mmCIF files using `02_fill_missing_CIFs.py`, we followed the official SAAINT-DB GitHub pipeline to: | |
| # 1) convert mmCIF files to PDB format, and | |
| # 2) remove ligands from the resulting structures. | |
| # To reproduce this step, first install the SAAINT repository: | |
| # https://github.com/tommyhuangthu/SAAINT | |
| # Then follow the “Building SAAINT-DB” instructions and run the corresponding terminal commands on the 111 mmCIF files: | |
| # https://github.com/tommyhuangthu/SAAINT/tree/main?tab=readme-ov-file#building-saaint-db |