[INFO] Console - predicting pockets for proteins from dataset [rnf186.pdb] [INFO] PredictPocketsRoutine - outdir: /oak/stanford/groups/mrivas/projects/multiomics/tlmenest/LLMChemCreator/p2rank_2.4.1/test_output/predict_rnf186 [INFO] FeatureSetup - enabledFeatures: [chem, volsite, protrusion, bfactor, atom_table] [INFO] Dataset - processing dataset [rnf186.pdb] using 0 threads [INFO] Dataset - ------------------------------------------------------------------------------------------------------------------------ processing [rnf186.pdb] (1/1) ------------------------------------------------------------------------------------------------------------------------ [INFO] Console - processing [rnf186.pdb] (1/1) [INFO] Protein - loading protein [/oak/stanford/groups/mrivas/projects/multiomics/tlmenest/LLMChemCreator/proteins/rnf186.pdb] [INFO] PdbUtils - loading file [../proteins/rnf186.pdb] [INFO] Struct - groups in chain A: 227 [INFO] Struct - groups in chain A: 227 [INFO] Struct - 227 groups in chain A [INFO] Protein - structure atoms: 1682 [INFO] Protein - protein atoms: 1657 [INFO] Protein - ignoring ligands [INFO] FeatureSetup - enabledFeatures: [chem, volsite, protrusion, bfactor, atom_table] [INFO] Protein - SAS points: 7132 [INFO] Protein - exposed protein atoms: 1479 of 1657 [INFO] InstancePredictor - Creating WekaInstancePredictor [INFO] PocketPredictor - PREDICTING POCKETS.... ==================================== [INFO] PocketPredictor - SAS POINTS: 7132 [INFO] PocketPredictor - LIGANDABLE POINTS: 1 [INFO] PocketPredictor - CLUSTERS: 1 [INFO] PocketPredictor - FILTERED CLUSTERS: 0 [INFO] OldPymolRenderer - copying [/oak/stanford/groups/mrivas/projects/multiomics/tlmenest/LLMChemCreator/proteins/rnf186.pdb] to [/oak/stanford/groups/mrivas/projects/multiomics/tlmenest/LLMChemCreator/p2rank_2.4.1/test_output/predict_rnf186/visualizations/data/rnf186.pdb] [INFO] Console - predicting pockets finished in 0 hours 0 minutes 10.453 seconds [INFO] Console - results saved to directory [/oak/stanford/groups/mrivas/projects/multiomics/tlmenest/LLMChemCreator/p2rank_2.4.1/test_output/predict_rnf186] [INFO] Console - [INFO] Console - Finished successfully in 0 hours 0 minutes 11.914 seconds.