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Update pdbs_in_dir.py
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RaulFD-creator authored Jul 18, 2024
1 parent b847844 commit 287ea9b
Showing 1 changed file with 1 addition and 3 deletions.
4 changes: 1 addition & 3 deletions scripts/pdbs_in_dir.py
Original file line number Diff line number Diff line change
Expand Up @@ -18,8 +18,6 @@ def parse_cli() -> dict:
help="Directory with PDB files to be analysed.")
p.add_argument("metals", type=str,
help="Symbol of the metal that is to be located. More than one metal can be used by separting them with a comma: METAL1,METAL2")
p.add_argument("--model", type=str, default='BrigitCNN',
help="Name of the model to be used.")
p.add_argument("--device", type=str, default='cuda',
help="Device in which calculations will be run.")
p.add_argument("--device_id", type=int, default=0,
Expand Down Expand Up @@ -96,4 +94,4 @@ def main():
args['target'] = os.path.join(
args['targets'], file
)
brigit.predict(**args)
brigit.predict(**args)

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