diff --git a/graphein/protein/features/nodes/dssp.py b/graphein/protein/features/nodes/dssp.py index d4cf60fe..863e4e53 100644 --- a/graphein/protein/features/nodes/dssp.py +++ b/graphein/protein/features/nodes/dssp.py @@ -118,10 +118,10 @@ def add_dssp_df(G: nx.Graph, dssp_config: Optional[DSSPConfig]) -> nx.Graph: ), "DSSP must be on PATH and marked as an executable" # Check for existence of pdb file. If not, download it. - if not os.path.isfile(config.pdb_dir / pdb_id): + if not os.path.isfile(config.pdb_dir / (pdb_id + ".pdb")): pdb_file = download_pdb(config, pdb_id) else: - pdb_file = config.pdb_dir + pdb_id + ".pdb" + pdb_file = config.pdb_dir / (pdb_id + ".pdb") if config.verbose: print(f"Using DSSP executable '{executable}'") diff --git a/graphein/protein/graphs.py b/graphein/protein/graphs.py index fb5e9a10..2ac73c25 100644 --- a/graphein/protein/graphs.py +++ b/graphein/protein/graphs.py @@ -582,7 +582,7 @@ def construct_graph( granularity=config.granularity, ) protein_df = process_dataframe( - raw_df, chain_selection=chain_selection, granularity=config.granularity + raw_df, chain_selection=chain_selection, granularity=config.granularity, insertions=config.insertions ) # Initialise graph with metadata