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', }