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Some property class like SecondaryStructureProperty and SaxsProperty can be instatiated using an
executable command through a method call. For instance:
will create secondary structure property ss_prop by running executable dssp using PDB file pdb_file.
The task is to create a utility function so that given: (1)a property class, (2) a method, and (3) a list of files will create one property for each file, and this should be done in parallel.
For instance,
import multiprocessing
from tqdm import tqdm
with multiprocessing.Pool(processes=multiprocessing.cpu_count()) as pool:
profiles = list(tqdm(pool.imap(SaxsProperty().from_crysol_pdb, pdb_names),
total=len(pdb_names)))
will create list of saxs properties profiles using all available cores.
The utility function should be implemented in file utils.py
The text was updated successfully, but these errors were encountered:
Some property class like
SecondaryStructureProperty
andSaxsProperty
can be instatiated using anexecutable command through a method call. For instance:
will create X-ray property
saxs_prop
by running executable crysol using PDB filepdb_file
.Analogously,
will create secondary structure property
ss_prop
by running executable dssp using PDB filepdb_file
.The task is to create a utility function so that given: (1)a property class, (2) a method, and (3) a list of files will create one property for each file, and this should be done in parallel.
For instance,
will create list of saxs properties
profiles
using all available cores.The utility function should be implemented in file
utils.py
The text was updated successfully, but these errors were encountered: