fix type error in charge writing

a-r-j · Oct 28, 2023 · 4174aec · 4174aec
1 parent 62252b3
commit 4174aec
Showing 1 changed file with 2 additions and 2 deletions.
diff --git a/graphein/protein/utils.py b/graphein/protein/utils.py
@@ -15,8 +15,8 @@
 from urllib.request import urlopen
 
 import networkx as nx
-import numpy as np
 import pandas as pd
+import numpy as np
 import requests
 import wget
 from biopandas.pdb import PandasPdb
@@ -404,7 +404,7 @@ def save_graph_to_pdb(
     df = g.graph["pdb_df"]
     # format charge correctly
     df.charge = df.charge.replace("", np.nan)
-    df["charge"] = df.charge.apply(lambda x: float(x) if x != "" else "")
+    df.charge = df.charge.astype(float)
 
     # Add blank columns
     blank_cols = [