When I try to use the python API to find the buried volume for a given molecule, I get the error TypeError: Unexpected keyword argument {'n_jobs': -1}
. Below is a sample code to show how I get this error.
To install dbstep, I used conda install -c conda-forge dbstep
and it installed version 1.0.0
.
import urllib.request
import dbstep.Dbstep as db
url = "https://raw.githubusercontent.com/patonlab/DBSTEP/master/dbstep/examples/1Nap.xyz"
filename, headers = urllib.request.urlretrieve(url, filename="1Nap.xyz")
db.dbstep("1Nap.xyz", atom1=2, volume=True).bur_vol