Describe the bug
Running protein-utils on 19HC, cause performance issues when clustering ligands.
To Reproduce
Run .\protein-utils\bin\protein-utils.bat -a p2rank-web --structure=./19HC.pdb --prediction=./19hc.pdb.gz_predictions.csv --residues=./19hc.pdb.gz_residues.csv --output-pocket=./prediction.json --output-sequence=./sequence.json
Expected behavior
The execution finish in reasonable time.
Describe the bug Running protein-utils on 19HC, cause performance issues when clustering ligands.
To Reproduce
.\protein-utils\bin\protein-utils.bat -a p2rank-web --structure=./19HC.pdb --prediction=./19hc.pdb.gz_predictions.csv --residues=./19hc.pdb.gz_residues.csv --output-pocket=./prediction.json --output-sequence=./sequence.jsonExpected behavior The execution finish in reasonable time.