| from pathlib import Path | |
| import os | |
| REPO_ROOT = Path(__file__).parent.parent.resolve() | |
| STRIDE_EXE = os.environ.get('STRIDE_EXE', str(REPO_ROOT / "scripts" / "stride" / "stride")) | |
| PYMOL_EXE = "/Applications/PyMOL.app/Contents/MacOS/PyMOL" # only required if you want to generate 3D images | |
| _3to1 = { | |
| 'ALA': 'A', | |
| 'CYS': 'C', | |
| 'ASP': 'D', | |
| 'GLU': 'E', | |
| 'PHE': 'F', | |
| 'GLY': 'G', | |
| 'HIS': 'H', | |
| 'ILE': 'I', | |
| 'LYS': 'K', | |
| 'LEU': 'L', | |
| 'MET': 'M', | |
| 'ASN': 'N', | |
| 'PRO': 'P', | |
| 'GLN': 'Q', | |
| 'ARG': 'R', | |
| 'SER': 'S', | |
| 'THR': 'T', | |
| 'VAL': 'V', | |
| 'TRP': 'W', | |
| 'TYR': 'Y', | |
| } | |